SCHEMBL17501940

SCHEMBL17501940

COc1cccc(N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.49
MTNR1B P49286 8/20 0.49
HSD17B2 P37059 4/20 0.47
HSD17B1 P14061 3/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
LMNA P02545 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NLRP3 Q96P20 1/20 0.44

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
SCHEMBL1426134 0.83 CETP (0.43) LMNANPC1RAB9A
SCHEMBL28803977 0.81 MTNR1B (0.51) MTNR1AMTNR1BHSD17B2HSD17B1LMNA
SCHEMBL2117365 0.80 SMN1; SMN2 (0.47) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL14861071 0.79 GMPS (0.42) MTNR1AMTNR1B
SCHEMBL2194318 0.79 NR4A1 (0.45) MTNR1AMTNR1BHSD17B2HSD17B1NPC1
SCHEMBL1555330 0.78 ALDH1A1 (0.50) HSD17B2HSD17B1LMNASMN1; SMN2NLRP3
SCHEMBL20264517 0.78 HSD17B2 (0.61) MTNR1AMTNR1BHSD17B2HSD17B1CES2
SCHEMBL26907935 0.78 GAA (0.57) MTNR1AMTNR1BLMNANPC1SMN1; SMN2
SCHEMBL2447967 0.77 LMNA (0.49) MTNR1AMTNR1BHSD17B2HSD17B1LMNA
SCHEMBL7379122 0.77 RXRA (0.45) LMNANPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-07-10 US disclosed
US-9981939-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20160046613-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2016-02-18 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 (3 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 MTNR1A 2295/4885MTNR1B 1316/4885HSD17B2 1474/4885
US-20160046613-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB MTNR1A 2295/4885MTNR1B 1316/4885HSD17B2 1474/4885
US-10017491-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB MTNR1A 2295/4885MTNR1B 1316/4885HSD17B2 1474/4885

“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.