SCHEMBL1163095

SCHEMBL1163095

CCOc1c(F)ccc2c1c(CC(=O)OC)cn2C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
NQO2 P16083 2/20 0.34
SPR P35270 1/20 0.34
ICMT O60725 1/20 0.34
KAT6A Q92794 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL1163565 0.88 PTGER4 (0.39) AKR1C3KMT2ATP53LMNAMEN1
SCHEMBL1163621 0.82 KMT2A (0.54) KMT2ATP53LMNAMEN1KDM4E
SCHEMBL1163373 0.78 HSD17B10 (0.35) AKR1C3KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL1163551 0.77 AKR1C3 (0.42) AKR1C3KMT2AMEN1MTNR1AMTNR1B
SCHEMBL13592843 0.75 HTR2C (0.50)
SCHEMBL12596196 0.74 ADRB2 (0.38) KMT2AMEN1MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL4391300 0.74 HTR2C (0.49)
SCHEMBL1163191 0.73 HRH3 (0.37) TP53LMNAKDM4EALDH1A1
SCHEMBL1163616 0.71 THRB (0.40) KMT2AMEN1
SCHEMBL1163378 0.70 KMT2A (0.48) KMT2ALMNAMEN1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT AKR1C3 1365/4885KMT2A 3140/4885TP53 623/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT AKR1C3 1365/4885KMT2A 3140/4885TP53 623/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT AKR1C3 1365/4885KMT2A 3140/4885TP53 623/4885

“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.