SCHEMBL1035779

SCHEMBL1035779

O=S(=O)(Cl)c1ccc2cc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
AHR P35869 3/20 0.52
CMA1 P23946 1/20 0.52
CYP19A1 P11511 1/20 0.49
HTR6 P50406 1/20 0.49
ENPP2 Q13822 2/20 0.47
CYP2A6 P11509 1/20 0.47
TYR P14679 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 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
SCHEMBL29736936 0.85 CA12 (0.56) ESR1AHRCYP19A1HTR6CYP2A6
SCHEMBL1035515 0.85 CA12 (0.56) ESR1AHRCYP19A1HTR6CYP2A6
SCHEMBL516614 0.81 CA1 (0.60) ESR1AHRCMA1CYP19A1HTR6
SCHEMBL31497301 0.81 CA1 (0.60) ESR1AHRCMA1CYP19A1HTR6
SCHEMBL1120379 0.81 TYR (0.52) ESR1AHRCMA1CYP19A1HTR6
SCHEMBL30260844 0.81 ESR1 (0.53) ESR1AHRCMA1CYP19A1HTR6
SCHEMBL1144770 0.81 ESR1 (0.53) ESR1AHRCMA1CYP19A1HTR6
Hydrochloric Acid SCHEMBL5241443 0.79 CA1 (0.58) ESR1AHRCMA1CYP19A1HTR6
Hydrochloric Acid SCHEMBL28101627 0.79 TYR (0.50) ESR1AHRCMA1CYP19A1HTR6
SCHEMBL25195372 0.77 ESR1 (0.46) ESR1AHRCMA1CYP19A1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360165-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2024-10-31 US disclosed
US-20240285614-A1 PHENOL RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-08-29 US disclosed
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 EP disclosed
US-20230322672-A1 COMPOUNDS AND FORMULATIONS FOR TREATING OPHTHALMIC DISEASES VIEWPOINT THERAPEUTICS, INC. 2023-10-12 US disclosed
US-20230322672-A1 COMPOUNDS AND FORMULATIONS FOR TREATING OPHTHALMIC DISEASES VIEWPOINT THERAPEUTICS, INC. 2023-10-12 US disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 EP disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 EP disclosed
US-20230062491-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2023-03-02 US disclosed
WO-2022047315-A1 COMPOUNDS AND FORMULATIONS FOR TREATING OPHTHALMIC DISEASES VIEWPOINT THERAPEUTICS, INC. (US) 2022-03-03 WO disclosed
CN-110036004-A Inhibitors of cyclin dependent kinase 7(CDK7) 希洛斯医药品股份有限公司 2019-07-19 CN disclosed
EP-2294051-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM Boehringer Ingelheim International GmbH (DE) 2011-03-16 EP disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
EP-2265589-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS Abbott Healthcare Products B.V. (NL) 2010-12-29 EP disclosed
WO-2009142984-A1 ALPHA-SUBSTITUTED N-SULFONYL GYLCINE AMIDES ANTAGONISTS OF CCR10, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR USING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-26 WO disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed
WO-2009115515-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS SOLVAY PHARMACEUTICALS B.V. (NL) 2009-09-24 WO disclosed
EP-1869010-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 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-20230322672-A1 COMPOUNDS AND FORMULATIONS FOR TREATING OPHTHALMIC DISEASES CRYAB, CRYZ, PDE6C ESR1 4466/4885AHR 1339/4885CMA1 4130/4885
US-20240285614-A1 PHENOL RIBONUCLEOTIDE REDUCTASE (RNR) INHIBITORS AND USES THEREOF RRM2B, RRM2, RRM1 ESR1 1899/4885AHR 932/4885CMA1 2766/4885
US-20240360165-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 ESR1 2320/4885AHR 1519/4885CMA1 1593/4885
US-20230062491-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 ESR1 2320/4885AHR 1519/4885CMA1 1593/4885

“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.