SCHEMBL435571

SCHEMBL435571

Cc1ccc(S(=O)(=O)OC2CCOCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
CFTR P13569 1/20 0.43
GAA P10253 1/20 0.39
SYK P43405 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL181292 0.90 CYP2D6 (0.52) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL507364 0.90 CYP2D6 (0.52) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL506784 0.90 CYP2D6 (0.52) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL29656200 0.89 CYP2D6 (0.51) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL31662243 0.88 CYP2D6 (0.48) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL10376015 0.88 CYP2D6 (0.67) CYP2D6CYP1A2CYP3A4CYP2C19GAA
SCHEMBL657896 0.88 CYP2D6 (0.67) CYP2D6CYP1A2CYP3A4CYP2C19GAA
Fluoride SCHEMBL27871310 0.86 CYP2D6 (0.61) CYP2D6CYP1A2CYP3A4CYP2C19PKM
SCHEMBL777214 0.84 CYP2D6 (0.63) CYP2D6CYP1A2CYP3A4CYP2C19PKM
SCHEMBL6198035 0.84 CYP2D6 (0.63) CYP2D6CYP1A2CYP3A4CYP2C19PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 US disclosed
US-12540132-B2 Preparation of tetrahydroindazole derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2026-02-03 US disclosed
US-12466820-B2 Amino quinazoline derivatives as P2X3 inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2025-11-11 US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 EP disclosed
US-20250268877-A1 2H-INDAZOLE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2025-08-28 US disclosed
US-12384764-B2 Pharmaceutical compounds PFIZER INC. (US) 2025-08-12 US disclosed
EP-3759075-B1 COMPOUNDS WITH FERROPTOSIS INDUCING ACTIVITY AND METHODS OF THEIR USE FERRO THERAPEUTICS INC (US) 2025-07-23 EP disclosed
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2025-07-01 US disclosed
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2025-05-29 US disclosed
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
CN-1335849-A Pyrrolopyrimidines as protein kinase inhibitors BASF AG (DE) 2002-02-13 CN disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 WO disclosed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
EP-0962457-A1 Piperidones as tachykinin antagonists Pfizer Limited (GB) 1999-12-08 EP disclosed
US-4702763-A Herbicidal 1-aryl-delta2-1,2,4-triazolin-5-ones FMC CORPORATION (US) 1987-10-27 US disclosed
EP-0157876-A1 HERBICIDAL 1-ARYL-$g(D)?2 -1,2,4-TRIAZOLIN-5-ONES FMC Corporation (US) 1985-10-16 EP disclosed
WO-1985001637-A1 HERBICIDAL 1-ARYL-DELTA2-1,2,4-TRIAZOLIN-5-ONES FMC CORPORATION (US) 1985-04-25 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-20250268877-A1 2H-INDAZOLE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 CYP2D6 1693/4885CYP1A2 2011/4885CYP3A4 831/4885
US-12540132-B2 Preparation of tetrahydroindazole derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 CYP2D6 298/4885CYP1A2 296/4885CYP3A4 499/4885
US-12466820-B2 Amino quinazoline derivatives as P2X3 inhibitors P2RX3, P2RX5, P2RX1 CYP2D6 2505/4885CYP1A2 1183/4885CYP3A4 1820/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 CYP2D6 51/4885CYP1A2 124/4885CYP3A4 73/4885
US-20250170138-A1 ARYL-OR HETEROARYL-SUBSTITUTED BENZENE COMPOUNDS AHR, ARNT, CYP1B1 CYP2D6 12/4885CYP1A2 15/4885CYP3A4 31/4885
US-12384764-B2 Pharmaceutical compounds CNR1, HRH4, GABRA1 CYP2D6 320/4885CYP1A2 602/4885CYP3A4 266/4885
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CYP2D6 1098/4885CYP1A2 460/4885CYP3A4 655/4885

“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.