SCHEMBL1023994

SCHEMBL1023994

CCCC[Sn](CCCC)(CCCC)CCOCC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL9646025 1.00 ALDH1A1 (0.36) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL6697084 0.81 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL28512836 0.78 CYP3A4 (0.43) ALDH1A1TSHR
SCHEMBL135552 0.78 TSHR (0.46) ALDH1A1TSHR
SCHEMBL28438742 0.78 TSHR (0.46) ALDH1A1TSHR
SCHEMBL509694 0.77 LMNA (0.30) TSHR
SCHEMBL9182897 0.76 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL2139803 0.74 TSHR (0.43) ALDH1A1TSHR
SCHEMBL863480 0.74 TSHR (0.43) ALDH1A1TSHR
SCHEMBL3577655 0.74 TSHR (0.43) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
EP-2772482-B1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-20140275006-A1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-18 US disclosed
EP-2772482-A1 AZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-09-03 EP disclosed
US-8609675-B2 Fused Tricyclic Compounds as novel mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-12-17 US disclosed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
EP-2448942-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS Schering Corporation (US) 2012-05-09 EP disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
WO-2012027239-A1 NOVEL PYRAZOLO[1,5-a]PYRROLO[3,2-e]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS SCHERING CORPORATION (US) 2012-03-01 WO disclosed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 WO disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 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 (3 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR ALDH1A1 4261/4885TSHR 2472/4885ADRB2 4650/4885
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 ALDH1A1 4193/4885TSHR 2297/4885ADRB2 2685/4885
US-20140275006-A1 AZOLE DERIVATIVE AVPR1B, AVPR1A, AVPR2 ALDH1A1 1469/4885TSHR 159/4885ADRB2 604/4885

“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.