SCHEMBL1349458

SCHEMBL1349458

CC(CC#N)C(c1ccc(Cl)cc1F)c1c[nH]c2c(CS(C)(=O)=O)cccc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.35
NR3C1 P04150 5/20 0.32
NR3C2 P08235 3/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
PGR P06401 2/20 0.30
AR P10275 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL1347722 0.86 PNP (0.35) PNPNR3C1CNR1CNR2
SCHEMBL1348774 0.85 PNP (0.32) PNP
SCHEMBL1350620 0.84 PNP (0.33) PNPNR3C1NR3C2FPR2PROKR1
SCHEMBL1349674 0.83 NR3C1 (0.34) NR3C1NR3C2PGRAR
SCHEMBL1350330 0.81 FPR2 (0.33) FPR2PROKR1
SCHEMBL1350303 0.80 FPR2 (0.34) NR3C1NR3C2FPR2PROKR1PGR
SCHEMBL7978938 0.80 KDR (0.35) NR3C1NR3C2PGRAR
SCHEMBL12347290 0.79 PNP (0.31) PNPNR3C1NR3C2PGR
SCHEMBL12131451 0.79 TBXA2R (0.32) NR3C1NR3C2FPR2PROKR1PGR
SCHEMBL1349523 0.79 PNP (0.39) PNPNR3C1NR3C2PGRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063234-B2 Substituted 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindoles and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-22 US disclosed
US-8063234-B2 Substituted 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindoles and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-22 US disclosed
US-8063234-B2 Substituted 7-sulfanylmethyl-, 7-sulfinylmethyl- and 7-sulfonylmethylindoles and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-22 US disclosed
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 US disclosed
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
US-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-29 US disclosed
WO-2009156072-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 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 (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-20100105744-A1 SUBSTITUTED 7-SULFANYLMETHYL-, 7-SULFINYLMETHYL- AND 7-SULFONYLMETHYLINDOLES AND THE USE THEREOF STS, HTR7, PCSK7 PNP 2371/4885NR3C1 1838/4885NR3C2 291/4885
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF HTR7, STS, INMT PNP 3100/4885NR3C1 1705/4885NR3C2 439/4885

“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.