SCHEMBL79261

SCHEMBL79261

Cc1ccc(S(=O)(=O)OCC2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ENPP3 O14638 2/20 0.44
ENPP1 P22413 2/20 0.44
ENPP2 Q13822 2/20 0.44
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
ACHE P22303 1/20 0.42
CD4 P01730 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
STAT3 P40763 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1553777 0.98 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL5561307 0.98 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL956080 0.98 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL283868 0.97 ACHE (0.46) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL7032005 0.93 CYP2D6 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL26655167 0.93 CYP2D6 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL7166740 0.93 CYP2D6 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL26655196 0.93 CYP2D6 (0.45) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL10146863 0.87 CYP2D6 (0.41) ALDH1A1CYP3A4TSHRENPP3ENPP1
SCHEMBL4569135 0.87 CYP2D6 (0.41) ALDH1A1CYP3A4TSHRENPP3ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545666-B2 Itraconazole analogs and use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2026-02-10 US disclosed
US-20250320189-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS UNIV LEUVEN KATH (BE) 2025-10-16 US disclosed
EP-4532479-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP disclosed
WO-2023227695-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-10-26 US disclosed
US-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2023-10-26 US disclosed
CN-116768788-A Method for continuously synthesizing pyridine compound by adopting micro-channel reaction device through photoinduction 南京工业大学 2023-09-19 CN disclosed
US-11517568-B2 Compounds and methods for treating nematode infections THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-12-06 US disclosed
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2022-11-17 US disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 WO disclosed
EP-0780369-B1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents GRUENENTHAL GMBH (DE) 2000-01-19 EP disclosed
US-5922727-A 1-((SUBSTITUTED)CYCLOALK(EN)YLALKYL)-6-((SUB)PHENYL(CARBONYL, SULFIDE, OR OXO))-2,4-PYRIMIDINEDIONE DERIVATIVES HAVING SUPERIOR ANTIVIRAL ACTIVITIES; HIV SAMJIN PHARMACEUTICAL CO., LTD (KR) 1999-07-13 US disclosed
US-5801201-A 1-phenyl-2-dimenthylaminomethyl-cyclohexan-1-ol compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 1998-09-01 US disclosed
EP-0827498-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS Samjin Pharmaceutical Co., Ltd. (KR) 1998-03-11 EP disclosed
WO-1997030979-A1 NEW ANTIVIRAL SUBSTITUTED PYRIMIDINEDIONE HOMOCARBOCYCLIC NUCLEOSIDE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME AS ACTIVE INGREDIENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1997-08-28 WO disclosed
CN-1157815-A 1-phenyl-2-dimethylaminomethyl-cyclohexan-1-ol compounds as pharmaceutical active ingredients GRUENENTHAL GMBH (DE) 1997-08-27 CN disclosed
EP-0780369-A1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents Grünenthal GmbH (DE) 1997-06-25 EP disclosed
EP-0156245-A1 7-oxabicycloheptane substituted prostaglandin interphenylene analogs E.R. Squibb & Sons, Inc. (US) 1985-10-02 EP disclosed
US-4536513-A 7-Oxabicycloheptane substituted prostaglandin interphenylene analogs useful in the treatment of thrombolytic disease E. R. SQUIBB & SONS, INC. (US) 1985-08-20 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 (6 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-20230339874-A1 PIPERAZINYL COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS EPX, EGLN3, NISCH ALDH1A1 462/4885CYP3A4 524/4885TSHR 3337/4885
US-20250320189-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS TRPM4, TRPM2, TRPM6 ALDH1A1 2715/4885CYP3A4 2677/4885TSHR 3938/4885
US-20220363672-A1 ITRACONAZOLE ANALOGS AND USE THEREOF SHH, GLI1, KDR ALDH1A1 1448/4885CYP3A4 444/4885TSHR 425/4885
US-12545666-B2 Itraconazole analogs and use thereof SHH, SMO, GLI1 ALDH1A1 2379/4885CYP3A4 362/4885TSHR 324/4885
US-11517568-B2 Compounds and methods for treating nematode infections HNMT, HRH2, NISCH ALDH1A1 619/4885CYP3A4 1079/4885TSHR 3568/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 ALDH1A1 1171/4885CYP3A4 1901/4885TSHR 4640/4885

“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.