SCHEMBL3402986

SCHEMBL3402986

COC(=O)CCc1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 6/20 0.46
LMNA P02545 3/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 3/20 0.46
CFTR P13569 1/20 0.46
KDM4E B2RXH2 5/20 0.45
CA12 O43570 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HPGD P15428 2/20 0.43
RCE1 Q9Y256 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1787169 0.90 TSHR (0.46) TSHRALDH1A1LMNACYP4F2CYP4A11
Hydrochloric Acid SCHEMBL5582917 0.88 TSHR (0.45) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL26800711 0.88 CYP4F2 (0.50) TSHRALDH1A1LMNACYP4F2CYP4A11
Hydrochloric Acid SCHEMBL27566800 0.87 CYP4F2 (0.49) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL27697736 0.87 CYP4F2 (0.49) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL10438855 0.87 CYP4F2 (0.58) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL11216869 0.85 IAPP (0.46) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL1907798 0.85 ESR1 (0.45) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL27584050 0.85 EGFR (0.43) TSHRALDH1A1LMNACYP4F2CYP4A11
SCHEMBL22187922 0.83 TSHR (0.41) TSHRALDH1A1LMNACYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-8541573-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-09-24 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
EP-2254867-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-01 EP disclosed
CN-101801919-A The targeting diazo prodrugs of treatment gastrointestinal illness TRINITY COLLEGE DUBLIN 2010-08-11 CN disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
EP-2160377-A1 TARGETING DIAZO PRODRUGS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2010-03-10 EP disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed
WO-2009109364-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-11 WO disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-20090082314-A1 Targeting Prodrugs for the Treatment of Gastrointestinal Diseases THE PROVOST FELLOWS AND SCHOLARS OF THE COLLEGE OF THE 2009-03-26 US disclosed
US-20090082314-A1 Targeting Prodrugs for the Treatment of Gastrointestinal Diseases THE PROVOST FELLOWS AND SCHOLARS OF THE COLLEGE OF THE 2009-03-26 US disclosed
WO-2009003970-A1 TARGETING DIAZO PRODRUGS FOR THE TREATMENT OF GASTROINTESTINAL DISEASES THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2009-01-08 WO disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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 (4 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-20090082314-A1 Targeting Prodrugs for the Treatment of Gastrointestinal Diseases SI, NFKBIA, RELA TSHR 4631/4885ALDH1A1 2199/4885LMNA 1931/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 TSHR 867/4885ALDH1A1 2886/4885LMNA 575/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TSHR 3282/4885ALDH1A1 863/4885LMNA 2546/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 TSHR 1075/4885ALDH1A1 1741/4885LMNA 2639/4885

“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.