SCHEMBL1348431

SCHEMBL1348431

CCSCc1cccc2c(C(CCO)c3ccc(Cl)cc3C)c[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ADRB3 P13945 3/20 0.33
HAT1 O14929 1/20 0.33
EP300 Q09472 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR1 O14842 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 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
SCHEMBL1349965 0.91 PNP (0.37) PNPKMT2AMEN1MGAMGAA
SCHEMBL1349184 0.87 MEN1 (0.34) PNPKMT2AMEN1FFAR1GPR84
SCHEMBL1347989 0.87 PNP (0.40) PNPKMT2AMEN1MGAMGAA
SCHEMBL1427106 0.86 HDAC3 (0.34) KMT2AMEN1MGAMGAASI
SCHEMBL1351131 0.85 PNP (0.39) PNPKMT2AMEN1MGAMGAA
SCHEMBL1349493 0.85 PNP (0.38) PNPKMT2AMEN1MGAMGAA
SCHEMBL1350341 0.84 MEN1 (0.34) KMT2AMEN1MGAMGAASI
SCHEMBL1350257 0.84 MGAM (0.38) PNPKMT2AMEN1MGAMGAA
SCHEMBL1350988 0.82 KMT2A (0.44) PNPKMT2AMEN1MGAMGAA
SCHEMBL1349758 0.80 PNP (0.36) PNPKMT2AMEN1MGAMGAA

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-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
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 PNP 2371/4885KMT2A 2302/4885MEN1 1934/4885
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF HTR7, STS, INMT PNP 3100/4885KMT2A 2094/4885MEN1 2301/4885

“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.