SCHEMBL1351297

SCHEMBL1351297

CCOC(=O)CC(C)(c1ccc2c(c1)OCCO2)c1c[nH]c2c(CSC)cccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CNR2 P34972 1/20 0.38
TRPV1 Q8NER1 2/20 0.37
ALDH1A1 P00352 6/20 0.35
BRCA1 P38398 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALPL P05186 1/20 0.34
PKM P14618 1/20 0.33
NR5A1 Q13285 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 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
SCHEMBL1349703 0.83 MAPT (0.36) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL1348799 0.83 PDCD1 (0.35) TRPV1MEN1KMT2ACTNNB1WNT3A
SCHEMBL1350107 0.80 NR3C1 (0.30) ALDH1A1KDM4E
SCHEMBL1426923 0.79 KIF11 (0.33) TP53TRPV1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1350372 0.77 NR3C1 (0.41) PDCD1CD274
SCHEMBL1349596 0.73 LMNA (0.35) NPC1RAB9ATP53ALDH1A1MAPT
SCHEMBL1349457 0.72 NR3C1 (0.42) MEN1KMT2A
SCHEMBL1348795 0.69 NPC1 (0.55) NPC1RAB9ATP53GLACNR2
SCHEMBL1349846 0.68 NR3C1 (0.31) ALDH1A1KDM4E
SCHEMBL1349350 0.65 NR3C1 (0.48) ALDH1A1MAPTKDM4EPKMHPGD

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 NPC1 2580/4885RAB9A 3182/4885TP53 4271/4885
US-20110201564-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF HTR7, STS, INMT NPC1 3473/4885RAB9A 3055/4885TP53 3623/4885

“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.