SCHEMBL1349092

SCHEMBL1349092

CCOC(=O)CC(c1ccc(C(F)(F)F)cc1F)c1c[nH]c2c(CSC)cccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.35
PDE2A O00408 2/20 0.35
FFAR1 O14842 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
GPR139 Q6DWJ6 2/20 0.33
ALOX5 P09917 1/20 0.33
CLEC4M Q9H2X3 1/20 0.32
TACR1 P25103 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL1349774 0.91 MRGPRX4 (0.40) KDM4EMRGPRX4PDE2AMAPTMEN1
SCHEMBL1349268 0.88 MGAM (0.37) MAPTMEN1NPC1MAPK1CASP3
SCHEMBL1350710 0.88 KDM4E (0.39) KDM4EFFAR1MAPTMEN1NPC1
SCHEMBL1350307 0.84 ALDH1A1 (0.35) KDM4EMAPTMEN1NPC1MAPK1
SCHEMBL1349854 0.83 PDE2A (0.37) MRGPRX4PDE2AGPR139HDAC3HDAC4
SCHEMBL1349933 0.82 GCGR (0.33) KDM4EMAPTMEN1NPC1MAPK1
SCHEMBL2161102 0.82 NR3C1 (0.41) KDM4E
SCHEMBL1348100 0.81 MGAM (0.46) MAPTMEN1NPC1MAPK1CASP3
SCHEMBL1349057 0.81 MGAM (0.38) MAPTMEN1NPC1MAPK1CASP3
SCHEMBL1349563 0.80 PNP (0.35) MAPTMEN1NPC1MAPK1CASP3

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 12 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
EP-2300423-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-30 EP 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
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 KDM4E 2157/4885MRGPRX4 2028/4885PDE2A 1593/4885
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF HTR7, STS, INMT KDM4E 1389/4885MRGPRX4 2285/4885PDE2A 1601/4885

“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.