SCHEMBL171082

SCHEMBL171082

COC(=O)c1sc(C)c(C(=O)OC)c1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
HPGD P15428 3/20 0.61
TSHR P16473 4/20 0.56
HSD17B10 Q99714 3/20 0.56
MAPT P10636 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL18499663 0.88 ALDH1A1 (0.53) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL14542640 0.88 ALDH1A1 (0.53) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL18357933 0.87 KDM4E (0.71) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL13480743 0.83 ALDH1A1 (0.50) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL12111275 0.83 ALDH1A1 (0.49) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL3239048 0.80 ALDH1A1 (0.78) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL13861483 0.80 ALDH1A1 (0.46) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL2809243 0.80 MAPT (0.56) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL10716649 0.78 ALDH1A1 (0.51) ALDH1A1HPGDTSHRHSD17B10MAPT
SCHEMBL9368107 0.78 ALDH1A1 (0.46) ALDH1A1HPGDTSHRHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10655091-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2020-05-19 US disclosed
US-20190345415-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2019-11-14 US disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 US disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 US disclosed
US-9752104-B2 Thiophene AZO carboxylate dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2017-09-05 US disclosed
US-9567465-B2 Thiophene azo carboxylate dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-02-14 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US 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 (5 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 ALDH1A1 1382/4885HPGD 3397/4885TSHR 1772/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 ALDH1A1 748/4885HPGD 1200/4885TSHR 3305/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 ALDH1A1 2329/4885HPGD 740/4885TSHR 4208/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 ALDH1A1 748/4885HPGD 1200/4885TSHR 3305/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 ALDH1A1 1023/4885HPGD 2924/4885TSHR 1520/4885

“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.