SCHEMBL687293

SCHEMBL687293

CCOc1cccc(Cl)c1CN

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.49
AOC3 Q16853 3/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.40
PNMT P11086 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3934756 0.86 AOC3 (0.61) DPP4L3MBTL1AOC3ALDH1A1POLB
SCHEMBL16814912 0.85 DPP4 (0.47) DPP4L3MBTL1AOC3ALDH1A1POLB
SCHEMBL14370503 0.85 L3MBTL1 (0.51) DPP4L3MBTL1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL10352250 0.84 AOC3 (0.62) L3MBTL1AOC3ALDH1A1POLBMAPT
SCHEMBL687701 0.83 L3MBTL1 (0.50) DPP4L3MBTL1ALDH1A1POLBMAPT
SCHEMBL6837380 0.81 L3MBTL1 (0.49) DPP4L3MBTL1ALDH1A1POLBMAPT
SCHEMBL2380131 0.81 DPP4 (0.62) DPP4L3MBTL1ALDH1A1POLBTAAR1
SCHEMBL13120915 0.81 L3MBTL1 (0.45) DPP4L3MBTL1ALDH1A1POLBMAPT
SCHEMBL1547751 0.80 L3MBTL1 (0.54) L3MBTL1ALDH1A1MAPTRAB9AATM
Hydrochloric Acid SCHEMBL2379527 0.79 DPP4 (0.61) DPP4L3MBTL1ALDH1A1POLBTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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 (2 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 DPP4 1796/4885L3MBTL1 3947/4885AOC3 1840/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 DPP4 2360/4885L3MBTL1 4021/4885AOC3 1503/4885

“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.