SCHEMBL16639746

SCHEMBL16639746

C=c1s/c(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(=O)n1Cc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 0.53
POLB P06746 12/20 0.53
L3MBTL1 Q9Y468 9/20 0.53
ALDH1A1 P00352 8/20 0.53
MAPT P10636 8/20 0.53
MEN1 O00255 11/20 0.52
DUSP3 P51452 2/20 0.52
TDP1 Q9NUW8 8/20 0.51
RECQL P46063 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MCL1 Q07820 2/20 0.51
EIF4E P06730 1/20 0.51
EIF4G1 Q04637 1/20 0.51
THRB P10828 1/20 0.51
PKM P14618 3/20 0.51
PTPN7 P35236 1/20 0.51
PTPN12 Q05209 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
KDM4E B2RXH2 6/20 0.50
APEX1 P27695 4/20 0.50

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
SCHEMBL17789559 0.91 ALDH1A1 (0.53) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL16687570 0.87 KDM4E (0.58) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL16639748 0.84 MAPT (0.43) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL14291851 0.80 KMT2A (0.50) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL16639743 0.78 DUSP3 (0.56) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL17789560 0.78 ENPP2 (0.60) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL16639749 0.77 KMT2A (0.72) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL23692381 0.75 MAP3K5 (0.45) KMT2APOLBL3MBTL1MEN1DUSP3
SCHEMBL15374273 0.71 HIF1AN (0.56) KMT2APOLBL3MBTL1ALDH1A1MAPT
SCHEMBL8290392 0.71 ITGB2 (0.39) KMT2APOLBL3MBTL1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 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 (1 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-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B KMT2A 2195/4885POLB 3373/4885L3MBTL1 2515/4885

“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.