SCHEMBL1138907

SCHEMBL1138907

COC(=O)c1ccc(C#Cc2cc(Cl)ccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.49
PTPN11 Q06124 1/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.45
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP2K4 P45985 1/20 0.41
FLT1 P17948 1/20 0.41

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
SCHEMBL20487128 0.89 MAPT (0.51) PTPN11MAPTKDM4EALDH1A1HPGD
SCHEMBL20487495 0.82 TDP1 (0.51) PTPN11MAPTKDM4EALDH1A1HPGD
SCHEMBL20488212 0.81 CA1 (0.53) PTPN11MAPTKDM4EALDH1A1HPGD
SCHEMBL23252136 0.81 ALDH1A1 (0.49) PTPN11MAPTKDM4EALDH1A1HPGD
SCHEMBL22116791 0.80 MAPT (0.54) PTPN11MAPTKDM4EALDH1A1HPGD
SCHEMBL29985379 0.80 MAPT (0.54) PTPN11MAPTKDM4EALDH1A1HPGD
SCHEMBL20487124 0.80 MAPT (0.46) PTPN11MAPTKDM4EALDH1A1HPGD
SCHEMBL1138808 0.80 POLB (0.46) PTPN11MAPTLMNAPTGDR2MAPK1
SCHEMBL20488208 0.79 HPGD (0.44) PTPN11MAPTKDM4EALDH1A1HPGD
SCHEMBL20487479 0.78 HDAC1 (0.60) PTPN11MAPTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0947500-B1 SULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2011-02-23 EP disclosed
CN-1213019-C Sulfonamide and carboxamide derivatives and drugs containing same as active ingredient ONO PHARMACEUTICAL CO (JP) 2005-08-03 CN disclosed
US-6790866-B2 SUCH AS 4-(2-PHENYLSULFONYLAMINO-5-CHLOROBENZOYLAMINO)BENZOIC ACID FOR USE AS PROSTAGLANDIN E2 ANTAGONIST OR AGONIST; FOR INHIBITION OF UTERINE CONTRACTION, ANALGESICS, ANTIDIARRHEALS, SLEEP INDUCERS, AND/OR FOR INCREASE OF VESICAL CAPACITY ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-14 US disclosed
US-20030060460-A1 Such as 4-(2-phenylsulfonylamino-5-chlorobenzoylamino)benzoic acid for use as prostaglandin E2 antagonist or agonist; for inhibition of uterine contraction, analgesics, antidiarrheals, sleep inducers, and/or for increase of vesical capacity OHUCHIDA SHUICHI (JP) 2003-03-27 US disclosed
US-6448290-B1 PROSTAGLANDIN E2 ANTAGONIST OR AGONIST; INHIBITION OF UTERINE CONTRACTION, ANALGESICS, ANTIDIARRHEALS, SLEEP INDUCERS, INCREASING VESICAL CAPACITY, CATHARTIC, SUPPRESSION OF GASTRIC ACID SECRETION, ANTIHYPERTENSIVE, DIURETIC AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-10 US disclosed
CN-1247529-A Sulfonamide and carboxamide derivatives and drugs containing same as active ingredient ONO PHARMACEUTICAL CO (JP) 2000-03-15 CN disclosed
EP-0947500-A1 SULFONAMIDE AND CARBOXAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 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 (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-20030060460-A1 Such as 4-(2-phenylsulfonylamino-5-chlorobenzoylamino)benzoic acid for use as prostaglandin E2 antagonist or agonist; for inhibition of uterine contraction, analgesics, antidiarrheals, sleep inducers, and/or for increase of vesical capacity CNR1, HCAR1, HCAR2 ABL1 3795/4885PTPN11 2858/4885MAPT 4870/4885

“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.