SCHEMBL631209

SCHEMBL631209

O=C(O)Cc1ccc2sccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
KDM4E B2RXH2 3/20 0.48
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RGS12 O14924 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
GNAI1 P63096 1/20 0.47

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
SCHEMBL6544511 0.86 PTGS1 (0.47) CYP2A6CTNNB1WNT3AKDM4EPTGS1
SCHEMBL3815862 0.84 CYP2A6 (0.56) CYP2A6CTNNB1WNT3AOPRM1OPRK1
SCHEMBL26619319 0.83 CYP2A6 (0.54) CYP2A6CTNNB1WNT3AMRGPRX4SIGMAR1
SCHEMBL25569772 0.81 CYP2A6 (0.53) CYP2A6CTNNB1WNT3AKDM4ENFKB1
SCHEMBL2494708 0.80 CYP2A6 (0.56) CYP2A6CTNNB1WNT3AKDM4EGAA
SCHEMBL202744 0.77 CYP2A6 (0.66) CYP2A6CTNNB1WNT3AHSD17B10OPRM1
SCHEMBL47815 0.77 SIGMAR1 (0.54) CYP2A6CTNNB1WNT3AOPRM1OPRK1
SCHEMBL756841 0.76 PTGS1 (0.71) KDM4EPTGS1AKR1C3AKR1C2GAA
SCHEMBL20563595 0.76 CYP2A6 (0.50) CYP2A6CTNNB1WNT3AKDM4EPTGS1
SCHEMBL31370182 0.76 CYP2A6 (0.54) CYP2A6CTNNB1WNT3AKDM4EPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 CN claimed
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (GB) 2024-11-28 US disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 EP disclosed
EP-4234544-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME Generos Biopharma Ltd. (KY) 2023-08-30 EP disclosed
CN-116457347-A Compound containing condensed rings, application thereof and composition containing compound 健艾仕生物医药有限公司 2023-07-18 CN disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
CN-114478482-A Compound containing condensed ring, application thereof and composition containing compound 健艾仕生物医药有限公司 2022-05-13 CN disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 WO disclosed
WO-2022083731-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2022-04-28 WO disclosed
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 CN disclosed
CN-1200939-C Novel tetrahydropyridines, preparation method and pharmaceutical compositions containing same SANOFI SYNTHELABO (FR) 2005-05-11 CN disclosed
CN-1602291-A Novel benzophenone derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-03-30 CN disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
US-6689797-B2 TUMOUR NECROSIS FACTOR MODULATORS SANOFI-SYNTHELABO (FR) 2004-02-10 US disclosed
CN-1433412-A Tetrahydropyridines, process for their preparation and pharmaceutical compositions containing them SANOFI SYNTHELABO (FR) 2003-07-30 CN disclosed
US-20030083347-A1 Novel tetrahydropyridines, preparation method and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2003-05-01 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed
US-5288749-A Treating central nervous system or cardiovascular disorders ABBOTT LABORATORIES (US) 1994-02-22 US disclosed
EP-0330469-A2 Tetrahydroisoquinoline derivatives GLAXO GROUP LIMITED (GB) 1989-08-30 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 (3 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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT SLC6A3, CREBBP, SLC1A2 CYP2A6 1879/4885CTNNB1 2458/4885WNT3A 1865/4885
US-20030083347-A1 Novel tetrahydropyridines, preparation method and pharmaceutical compositions containing same ADRB3, DRD3, CHRM3 CYP2A6 180/4885CTNNB1 2200/4885WNT3A 1592/4885
US-20240391940-A1 FUSED RING-CONTAINING COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 CYP2A6 3288/4885CTNNB1 2456/4885WNT3A 1459/4885

“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.