SCHEMBL1040107

SCHEMBL1040107

Cc1ccc(NC(=O)OCc2ccccc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
ROCK2 O75116 1/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MAPT P10636 3/20 0.55
TP53 P04637 2/20 0.55
MGLL Q99685 2/20 0.53
NAMPT P43490 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM1A O60341 2/20 0.51
MAOA P21397 2/20 0.51
MAOB P27338 2/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
BLK P51451 1/20 0.50
BTK Q06187 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
RCOR1 Q9UKL0 1/20 0.50
MEN1 O00255 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
SCHEMBL8692140 0.84 POLB (0.61) POLBROCK2NPC1RAB9AMAPT
SCHEMBL30076850 0.84 POLB (0.57) POLBROCK2NPC1RAB9AMAPT
SCHEMBL27789206 0.82 ROCK2 (0.62) POLBROCK2NPC1RAB9AMAPT
SCHEMBL21026796 0.82 POLB (0.54) POLBROCK2NPC1RAB9AMAPT
SCHEMBL15332108 0.81 POLB (0.57) POLBROCK2NPC1RAB9AMAPT
SCHEMBL31307421 0.81 POLB (0.57) POLBROCK2NPC1RAB9AMAPT
SCHEMBL16423708 0.81 POLB (0.57) POLBROCK2NPC1RAB9AMAPT
SCHEMBL5852207 0.81 POLB (0.68) POLBROCK2NPC1RAB9AMAPT
SCHEMBL10042778 0.81 NPC1 (0.56) POLBROCK2NPC1RAB9AMAPT
SCHEMBL968903 0.80 POLB (0.71) POLBROCK2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 US disclosed
EP-1554239-B1 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-01-26 EP disclosed
US-7435815-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-10-14 US disclosed
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-18 US disclosed
US-7279578-B2 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-09 US disclosed
US-20060014783-A1 Sulfonylamino-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-19 US disclosed
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 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-20060014783-A1 Sulfonylamino-acetic acid derivatives HCRTR2, HCRTR1, GIPR POLB 4868/4885ROCK2 4630/4885NPC1 1748/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 POLB 385/4885ROCK2 1667/4885NPC1 4481/4885
US-20070244156-A1 SULFONYLAMINO-ACETIC ACID DERIVATIVES HCRTR2, HCRTR1, GIPR POLB 4868/4885ROCK2 4630/4885NPC1 1748/4885

“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.