SCHEMBL16639750

SCHEMBL16639750

Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.63
PPARG P37231 2/20 0.60
HIF1AN Q9NWT6 1/20 0.55
ITGB2 P05107 4/20 0.53
ITGAM P11215 4/20 0.53
TDP1 Q9NUW8 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
APEX1 P27695 2/20 0.52
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
PKM P14618 3/20 0.52
MCL1 Q07820 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
POLB P06746 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL12177177 0.90 ENPP2 (0.64) ENPP2PPARGITGB2ITGAMTDP1
SCHEMBL16644157 0.89 ENPP2 (0.78) ENPP2HIF1ANITGB2ITGAMTDP1
SCHEMBL12177487 0.89 ENPP2 (0.66) ENPP2PPARGHIF1ANITGB2ITGAM
SCHEMBL12177183 0.89 ENPP2 (0.60) ENPP2PPARGITGB2ITGAMTDP1
SCHEMBL12177597 0.89 MEN1 (0.61) ENPP2PPARGHIF1ANITGB2ITGAM
SCHEMBL16687571 0.88 ENPP2 (0.82) ENPP2ITGB2ITGAMTDP1KDM4E
SCHEMBL17715075 0.87 ENPP2 (0.69) ENPP2ITGB2ITGAMTDP1KDM4E
SCHEMBL46549 0.85 ITGB2 (0.63) ENPP2HIF1ANITGB2ITGAMTDP1
SCHEMBL12177566 0.84 ENPP2 (0.64) ENPP2ITGB2ITGAMTDP1KDM4E
SCHEMBL16639749 0.84 KMT2A (0.72) ENPP2ITGB2ITGAMTDP1MAPT

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 2 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-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 ENPP2 107/4885PPARG 671/4885HIF1AN 77/4885

“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.