SCHEMBL4067424

SCHEMBL4067424

Cc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
CYP3A4 P08684 1/20 0.60
VCAM1 P19320 1/20 0.56
THRB P10828 7/20 0.56
MCOLN3 Q8TDD5 1/20 0.55
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NFKBIA P25963 1/20 0.47
AGTR1 P30556 1/20 0.47
OPRK1 P41145 1/20 0.47
RELA Q04206 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GPR35 Q9HC97 1/20 0.46
CCR2 P41597 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
THRA P10827 1/20 0.42

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
SCHEMBL15703077 0.85 TSHR (0.60) TSHRCYP3A4VCAM1THRBMCOLN3
SCHEMBL10619019 0.85 TSHR (0.60) TSHRCYP3A4VCAM1THRBMCOLN3
SCHEMBL30908542 0.85 TSHR (0.60) TSHRCYP3A4VCAM1THRBMCOLN3
SCHEMBL11119285 0.84 TSHR (0.58) TSHRCYP3A4VCAM1THRBMCOLN3
Potassium Ion SCHEMBL10515756 0.84 TSHR (0.58) TSHRCYP3A4VCAM1THRBMCOLN3
SCHEMBL9734767 0.84 TSHR (0.58) TSHRCYP3A4VCAM1THRBMCOLN3
SCHEMBL4807396 0.84 TSHR (0.58) TSHRCYP3A4VCAM1THRBMCOLN3
SCHEMBL137704 0.84 TSHR (0.58) TSHRCYP3A4VCAM1THRBMCOLN3
SCHEMBL10515856 0.84 TSHR (0.58) TSHRCYP3A4VCAM1THRBMCOLN3
SCHEMBL27988824 0.84 TSHR (0.58) TSHRCYP3A4VCAM1THRBMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059914-A Method for preparing trifluoro benzoic acid derivative 帕潘纳(北京)科技有限公司 2024-12-03 CN disclosed
EP-3222606-B1 CARBOXYLIC ACID PREPARATION METHOD ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD (CN) 2019-08-07 EP disclosed
US-10167246-B2 Preparative method for carboxylic acids ZHEJIANG ZHUJI UNITED CHEMICALS CO., LTD (CN) 2019-01-01 US disclosed
US-20170369412-A1 Preparative method for carboxylic acids ZHEJIANG ZHUJI UNITED CHEMICALS CO., LTD 2017-12-28 US disclosed
EP-3222606-A1 CARBOXYLIC ACID PREPARATION METHOD Zhejiang Zhuji United Chemicals Co., Ltd (CN) 2017-09-27 EP disclosed
US-20160367091-A9 Personal Care Compositions Comprising a Di-Amido Gellant and Methods of Using THE PROCTER & GAMBLE COMPANY 2016-12-22 US disclosed
CN-105646120-A Preparation method of carboxylic acid 浙江省诸暨合力化学对外贸易有限公司 2016-06-08 CN disclosed
US-9334465-B2 Structuring using an external structurant and a cosmotrope THE PROCTER & GAMBLE COMPANY (US) 2016-05-10 US disclosed
US-20160015835-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-01-21 US disclosed
US-9175285-B2 Potent non-urea inhibitors of soluble epdxide hydrolase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-03 US disclosed
US-8309507-B2 Processes for making fluid detergent compositions comprising a di-amido gellant THE PROCTER & GAMBLE COMPANY (US) 2012-11-13 US disclosed
US-8207107-B2 Di-amido gellant for use in consumer product compositions THE PROCTER & GAMBLE COMPANY (US) 2012-06-26 US disclosed
US-20120151881-A1 PROCESSES FOR MAKING FLUID DETERGENT COMPOSITIONS COMPRISING A DI-AMIDO GELLANT FERNANDEZ PRIETO SUSANA (ES) 2012-06-21 US disclosed
US-8168579-B2 Fluid detergent compositions comprising a di-amido gellant, and processes for making THE PROCTER AND GAMBLE COMPANY (US) 2012-05-01 US disclosed
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase THE TRUSTEES OF COLUMBIA UNIVESITY IN THE CITY OF NEW YORK (US) 2012-02-02 US disclosed
US-20110220536-A1 Fluid Detergent Compositions Comprising a Di-Amido Gellant, and Processes for Making THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
EP-0470103-B1 PROCESS FOR THE PRODUCTION OF ALKANE SULPHONYL BENZOIC ACIDS HOECHST AG (DE) 1994-07-27 EP disclosed
EP-0470103-A1 PROCESS FOR THE PRODUCTION OF ALKANE SULPHONYL BENZOIC ACIDS. HOECHST AG (DE) 1992-02-12 EP disclosed
WO-1990013537-A1 PROCESS FOR THE PRODUCTION OF ALKANE SULPHONYL BENZOIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-15 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 (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-20160015835-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF GFPT1, QPCT, GLB1 TSHR 3747/4885CYP3A4 759/4885VCAM1 3977/4885
US-20170369412-A1 Preparative method for carboxylic acids CBR3, CBR1, QPCT TSHR 1836/4885CYP3A4 491/4885VCAM1 4453/4885
US-10167246-B2 Preparative method for carboxylic acids CBR3, CBR1, QPCT TSHR 1836/4885CYP3A4 491/4885VCAM1 4453/4885
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions DAGLA, GNPAT, CDIPT TSHR 3376/4885CYP3A4 1815/4885VCAM1 4509/4885
US-20120029022-A1 Potent Non-Urea Inhibitors Of Soluble Epoxide Hydrolase EPHX1, EPHX2, ECE1 TSHR 4761/4885CYP3A4 764/4885VCAM1 136/4885

“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.