SCHEMBL14019302

SCHEMBL14019302

CC(=O)OCOP(C)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GLA P06280 1/20 0.39
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SAT1 P21673 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5167134 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLACHRM5
SCHEMBL10378936 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLACHRM5
SCHEMBL13301617 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GLACHRM5
SCHEMBL7620877 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10GLACHRM5
SCHEMBL14409837 0.79 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10CHRM5CHRM1
SCHEMBL18686719 0.79 CA2 (0.44) HSD17B10SAT1SMN1; SMN2TSHRCA2
SCHEMBL13108239 0.79 TSHR (0.44) ALDH1A1SAT1TSHRBTN3A1
SCHEMBL25682828 0.77 SAT1 (0.32) SAT1
SCHEMBL16075571 0.77 PLA2G2A (0.37) ALDH1A1LMNAHSD17B10GLACHRM5
SCHEMBL14017058 0.77 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GLACHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355713-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN BIOPHARMA CREDIT PLC (GB) 2017-12-14 US disclosed
US-9802900-B2 Bicyclic heteroaryl compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-10-31 US disclosed
US-9776960-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-10-03 US disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9604999-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-03-28 US disclosed
US-20160332984-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2016-11-17 US disclosed
US-9458139-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-10-04 US disclosed
US-9422279-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-08-23 US disclosed
US-20160152602-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
US-20160083343-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN Global Blood Therapeutics, Inc (US) 2016-03-24 US disclosed
US-20150259296-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2015-09-17 US disclosed
US-20150141465-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2015-05-21 US disclosed
US-20150133430-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2015-05-14 US disclosed
US-8952171-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-02-10 US disclosed
US-20140275181-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 US disclosed
US-20140275176-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 US disclosed
US-20140275008-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 US disclosed
US-20140274961-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20140275152-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 US disclosed
US-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20140275181-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20150141465-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20140275176-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20160332984-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20170355713-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20140274961-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20160152602-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20160083343-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20150133430-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20150259296-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBB, HBG1 ALDH1A1 1152/4885LMNA 692/4885HSD17B10 407/4885
US-20080261923-A1 Alkene Mimics PHOSPHO1, PARN, CHAMP1 ALDH1A1 4597/4885LMNA 1092/4885HSD17B10 3121/4885
US-20140275152-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885
US-20140275008-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1089/4885LMNA 823/4885HSD17B10 849/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.