SCHEMBL828951

SCHEMBL828951

Cc1ccc(S(=O)(=O)OCCc2ccc(Br)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CA1 P00915 6/20 0.44
CA2 P00918 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40
CA4 P22748 1/20 0.39
CNR2 P34972 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39

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
SCHEMBL5224201 0.93 CYP1A2 (0.43) EGFRERBB2CYP2C9CYP1A2CA1
SCHEMBL16898479 0.93 EGFR (0.44) EGFRERBB2CYP2C9CYP1A2CA1
SCHEMBL18289524 0.92 CA1 (0.50) CYP2C9CA1CA2ALDH1A1KMT2A
SCHEMBL6906905 0.92 CA1 (0.50) CYP2C9CA1CA2ALDH1A1KMT2A
SCHEMBL18530411 0.86 ALDH1A1 (0.45) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL4824193 0.85 FDFT1 (0.41) EGFRERBB2CYP2C9CYP1A2CA2
SCHEMBL4432596 0.84 CA1 (0.49) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL948326 0.84 CNR2 (0.56) EGFRERBB2CYP2C9CA1CA2
SCHEMBL31757240 0.84 CA1 (0.48) CA1CA2ALDH1A1KMT2AMEN1
SCHEMBL21524969 0.84 CA1 (0.48) CYP1A2CA1CA2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281119-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist BEIGENE, LTD. (KY) 2025-04-22 US disclosed
EP-3921320-B1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE LTD (KY) 2024-03-06 EP disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
CN-115996912-A Iminothiolanone inhibitors of ENPP1 沃拉斯查疗法公司 2023-04-21 CN disclosed
EP-4146344-A1 IMINO SULFANONE INHIBITORS OF ENPP1 Volastra Therapeutics, Inc. (US) 2023-03-15 EP disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-20220119394-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEONE MEDICINES I GMBH (CH) 2022-04-21 US disclosed
EP-3921320-A1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BeiGene, Ltd. (KY) 2021-12-15 EP disclosed
US-6790971-B1 AMIDE OR CARBAMATE FUNCTION AT 11 BETA-POSITION; CLAIMED 3-ONE-DIENE INTERMEDIATE HAS HYDROXYMETHYLALKYL GROUP ON 11 POSITION; ANTIPROGESTOMIMETIC; HORMONE-DEPENDENT TUMORS; ANIMAL HUSBANDRY AVENTIS PHARMA S.A. (FR) 2004-09-14 US disclosed
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
CN-1332726-A Pyrrolidine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-01-23 CN disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed
US-6063789-A Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents ASTRA PHARMACEUTICALS, LTD. (GB) 2000-05-16 US disclosed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP disclosed
US-5707982-A ANTITUMOR ROUSSEL UCLAF (FR) 1998-01-13 US disclosed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO disclosed
US-5290771-A 19-nor-steroids ROUSSEL UCLAF (FR) 1994-03-01 US disclosed
US-5149696-A Antiestrogens ROUSSEL UCLAF (FR) 1992-09-22 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 EGFR 4147/4885ERBB2 2359/4885CYP2C9 3750/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 EGFR 4147/4885ERBB2 2359/4885CYP2C9 3750/4885
US-20220119394-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST TLR7, TLR1, TLR3 EGFR 535/4885ERBB2 68/4885CYP2C9 3685/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 EGFR 1505/4885ERBB2 3228/4885CYP2C9 1248/4885
US-12281119-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist TLR7, TLR1, TLR3 EGFR 535/4885ERBB2 68/4885CYP2C9 3685/4885

“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.