SCHEMBL940167

SCHEMBL940167

CN(Cc1nc2cccc(C(=O)O)c2[nH]1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.45
PRSS1 P07477 1/20 0.45
NPY5R Q15761 2/20 0.43
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
STAT3 P40763 1/20 0.40
PTPRS Q13332 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL939707 0.89 PRSS1 (0.41) C1RPRSS1NPY5RKEAP1NFE2L2
SCHEMBL938603 0.85 KMT2A (0.41) ALDH1A1HPGDKMT2AMEN1USP2
SCHEMBL940059 0.80 KDM4A (0.37) ALDH1A1HPGDKMT2AMEN1USP2
SCHEMBL938694 0.80 NPSR1 (0.49) C1RPRSS1NPY5RKEAP1NFE2L2
SCHEMBL11947897 0.79 DYRK1A (0.41) ALDH1A1KMT2AMEN1USP2
SCHEMBL939071 0.78 CYP2C9 (0.42) ALDH1A1HPGDUSP2
SCHEMBL941264 0.78 KDM4C (0.41) ALDH1A1USP2KDM4ETDP1
SCHEMBL938977 0.78 C1R (0.36) C1RPRSS1ALDH1A1KMT2AMEN1
SCHEMBL940190 0.76 KDM5A (0.35) C1RPRSS1ALDH1A1KMT2AMEN1
SCHEMBL11947920 0.76 LMNA (0.37) NPY5RPTPN2PTPN1STAT3PTPRS

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-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 C1R 720/4885PRSS1 207/4885NPY5R 312/4885

“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.