SCHEMBL195895

SCHEMBL195895

C=CCS(=O)(=O)N[CH]CCCC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARA Q07869 3/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL195435 0.74 TSHR (0.36) TSHRALDH1A1
SCHEMBL5843086 0.73 TSHR (0.40) TSHRALDH1A1PPARACA12CA1
SCHEMBL10570553 0.72 CA1 (0.52) TSHRALDH1A1PPARACA12CA1
SCHEMBL15561977 0.71 PPARA (0.40) TSHRALDH1A1PPARACA12CA1
SCHEMBL720606 0.71 PPARA (0.48) PPARACA12CA1CA2CA7
SCHEMBL15367310 0.70 PPARA (0.49) TSHRALDH1A1PPARACA12CA1
SCHEMBL196529 0.69 TSHR (0.48) TSHRALDH1A1PPARA
SCHEMBL6887926 0.69
SCHEMBL15367307 0.69 ALDH1A1 (0.35) TSHRALDH1A1
SCHEMBL8679501 0.69 FAAH (0.38) TSHRALDH1A1CA2FAAH

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 547 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
WO-2011134925-A1 SPIROINDOLINONE PYRROLIDINES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 WO claimed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO claimed
EP-4373493-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH ENHANCED IMID ACTIVITY Nurix Therapeutics, Inc. (US) 2024-05-29 EP disclosed
EP-4370123-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK WITH DIMINISHED IMID ACTIVITY Nurix Therapeutics, Inc. (US) 2024-05-22 EP disclosed
WO-2024086296-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K MEKANISTIC THERAPEUTICS LLC (US) 2024-04-25 WO disclosed
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2024-04-18 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
EP-4334302-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
US-11918569-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same POXEL SA (FR) 2024-03-05 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US disclosed
US-20070054911-A1 Muscarinic modulators VERTEX PHARMACEUTICALS INCORPORATED 2007-03-08 US disclosed
WO-2007025307-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-01 WO disclosed
US-20070043023-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2007-02-22 US disclosed
WO-2007022459-A2 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO disclosed
WO-2007016589-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-08 WO disclosed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO disclosed
WO-2006105035-A2 MUSCARINIC MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-10-05 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 (7 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-20070054911-A1 Muscarinic modulators CHRM3, CHRM5, CHRM4 TSHR 134/4885ALDH1A1 2686/4885PPARA 543/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 TSHR 3897/4885ALDH1A1 599/4885PPARA 2871/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TSHR 2748/4885ALDH1A1 1961/4885PPARA 761/4885
US-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 TSHR 2060/4885ALDH1A1 2670/4885PPARA 520/4885
US-20240124475-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY CBL, XIAP, BTK TSHR 4040/4885ALDH1A1 4160/4885PPARA 4768/4885
US-11918569-B2 5-deutero-2,4-thiazolidinedione derivatives and compositions comprising and methods of using the same SLC5A2, PPARD, DPP4 TSHR 421/4885ALDH1A1 1258/4885PPARA 20/4885
US-20070043023-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 TSHR 131/4885ALDH1A1 2356/4885PPARA 497/4885

“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.