Sugi Predict

Sugi Predict / Compounds / SCHEMBL1308638

SCHEMBL1308638

SCHEMBL1308638

CC(=O)c1ccc(N=C=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.53
▸ NOS1 P29475 2/20 0.53
▸ MAPT P10636 6/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ STAT1 P42224 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ P2RY6 Q15077 1/20 0.47
▸ MIF P14174 1/20 0.46
▸ CYP1A1 P04798 2/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL941258 0.83 P2RY6 (0.50) NOS3NOS1MAPTHPGDHSD17B10
SCHEMBL23481284 0.81 HSD17B10 (0.49) NOS3NOS1MAPTTDP1HPGD
SCHEMBL455561 0.81 MIF (0.54) NPC1SMN1; SMN2HSD17B10P2RY6MIF
SCHEMBL219763 0.81 NOS3 (0.55) NOS3NOS1MAPTRAB9ANPC1
SCHEMBL5725196 0.79 NOS1 (0.52) NOS1MAPTTDP1HSD17B10P2RY6
SCHEMBL10576522 0.79 P2RY6 (0.52) MAPTTDP1HPGDHSD17B10KDM4E
SCHEMBL27517752 0.79 MIF (0.52) NPC1SMN1; SMN2HSD17B10P2RY6MIF
SCHEMBL3322047 0.79 HSD17B10 (0.47) NOS3NOS1MAPTTDP1HPGD
SCHEMBL14453839 0.79 HSD17B10 (0.44) HSD17B10KDM4EP2RY6MIFCA1
SCHEMBL13664653 0.79 HSD17B10 (0.47) MAPTRAB9ANPC1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101356165-A Process for preparing gemcitabine and related intermediates CHEMAGIS LTD (IL) 2009-01-28 — — CN claimed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 — — US claimed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 — — WO claimed
CN-118420567-B S-alkyl isothiourea compound and preparation method thereof 曲阜师范大学 2026-05-15 — — CN disclosed
EP-4701635-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS Universitat De Barcelona (ES) 2026-03-04 — — EP disclosed
EP-4658264-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TO INHIBIT PROTEIN AGGREGATION Purdue Research Foundation (US) 2025-12-10 — — EP disclosed
WO-2024223907-A1 1,2,4-TRIAZOLE-3-THIONE INHIBITORS OF TREX2 FOR USE IN THE TREATMENT OF PSORIASIS, ATOPIC DERMATITIS OR ICHTHYOSIS UNIVERSITAT DE BARCELONA (ES) 2024-10-31 — — WO disclosed
CN-115557908-B Triazine derivative containing sulfur connecting bond, and synthesis method and application thereof 九江学院 2024-10-15 — — CN disclosed
CN-118619952-A Aloperine derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-09-10 — — CN disclosed
WO-2024163907-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TO INHIBIT PROTEIN AGGREGATION PURDUE RESEARCH FOUNDATION (US) 2024-08-08 — — WO disclosed
CN-118420567-A S-alkyl isothiourea compound and preparation method thereof 曲阜师范大学 2024-08-02 — — CN disclosed
CN-1443179-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2003-09-17 — — CN disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 — — US disclosed
US-20030096848-A1 Antiproliferative 1,2,3-thiadiazole compounds DERMIRA (CANADA), INC. 2003-05-22 — — US disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 — — WO disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 — — EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 — — EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 — — WO disclosed
US-4593108-A DIFFUSION TRANSFER PRODUCTS FOR PHOTOGRAPHIC MATERIALS POLAROID CORPORATION (US) 1986-06-03 — — US disclosed
US-4355092-A DIFFUSION TRANSFER PHOTOGRAPHIC FILM POLAROID CORPORATION (US) 1982-10-19 — — 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 (2 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-20030096848-A1 Antiproliferative 1,2,3-thiadiazole compounds CCNA1, CCND1, CCND3 NOS3 223/4885NOS1 562/4885MAPT 4864/4885
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 NOS3 3771/4885NOS1 4473/4885MAPT 4772/4885

“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.