SCHEMBL202744

SCHEMBL202744

OCc1ccc2sccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.66
CA2 P00918 3/20 0.45
PTPRC P08575 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
HSD17B10 Q99714 1/20 0.44
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
SIGMAR1 Q99720 1/20 0.43
DYRK1A Q13627 1/20 0.42
PDE10A Q9Y233 1/20 0.40
SLC5A2 P31639 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
PARP1 P09874 1/20 0.38
CA12 O43570 2/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 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
Hydrochloric Acid SCHEMBL31305343 0.98 CYP2A6 (0.63) CYP2A6CA2PTPRCPTPN6PTPN11
SCHEMBL48139 0.84 CYP2A6 (0.61) CYP2A6CA2PTPRCPTPN6PTPN11
SCHEMBL3150204 0.83 CYP2A6 (0.46) CYP2A6CA2PTPRCPTPN6PTPN11
SCHEMBL2824111 0.81 DYRK1A (0.49) CYP2A6CA2CTNNB1WNT3ADYRK1A
SCHEMBL29469368 0.79 CYP2A6 (0.66) CYP2A6CA2PTPRCPTPN6PTPN11
SCHEMBL1863293 0.79 CYP2A6 (0.66) CYP2A6CA2PTPRCPTPN6PTPN11
SCHEMBL112311 0.79 CYP2A6 (1.00) CYP2A6CA2PTPRCPTPN6PTPN11
SCHEMBL1774025 0.79 CYP2A6 (0.66) CYP2A6CA2PTPRCPTPN6PTPN11
SCHEMBL202117 0.79 CYP2A6 (0.66) CYP2A6CA2PTPRCPTPN6PTPN11
SCHEMBL6607954 0.79 CYP2A6 (0.66) CYP2A6CA2PTPRCPTPN6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
EP-4289838-A2 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2023-12-13 EP disclosed
EP-3599236-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2023-08-23 EP disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2022-12-29 US disclosed
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2022-08-16 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
US-20060069282-A1 Process for producing aromatic nitrile compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2006-03-30 US disclosed
EP-1555257-A1 PROCESS FOR PRODUCING AROMATIC NITRILE COMPOUND IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-07-20 EP disclosed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP disclosed
EP-0129478-B1 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE MERCK & CO. INC. (US) 1990-01-17 EP disclosed
US-4788192-A TOPICALLY APPLYING; FOR GLAUCOMA MERCK & CO., INC. (US) 1988-11-29 US disclosed
US-4668697-A Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0129478-A2 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-12-27 EP 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-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 CYP2A6 23/4885CA2 1592/4885PTPRC 3412/4885
US-20060069282-A1 Process for producing aromatic nitrile compound ODC1, ALKBH3, GNMT CYP2A6 2434/4885CA2 2338/4885PTPRC 4559/4885
US-11414399-B2 Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CYP3A7, CYP3A4, CYP3A43 CYP2A6 23/4885CA2 1592/4885PTPRC 3412/4885
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 CYP2A6 2211/4885CA2 4232/4885PTPRC 2814/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF CYP2A6 3691/4885CA2 2330/4885PTPRC 2818/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 CYP2A6 892/4885CA2 1073/4885PTPRC 2640/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 CYP2A6 2198/4885CA2 4239/4885PTPRC 2736/4885

“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.