Sugi Predict

Sugi Predict / Compounds / SCHEMBL330552

SCHEMBL330552

SCHEMBL330552

CCOC(=O)c1sc(N)nc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ HSD17B10 Q99714 2/20 1.00
▸ HPGD P15428 3/20 0.68
▸ DHODH Q02127 7/20 0.65
▸ CDC7 O00311 3/20 0.65
▸ DBF4 Q9UBU7 3/20 0.65
▸ CYP1A2 P05177 2/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ GSTO1 P78417 1/20 0.60
▸ TRPM8 Q7Z2W7 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ FBP1 P09467 1/20 0.57

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
SCHEMBL16075306 0.90 ALDH1A1 (0.81) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL11164259 0.87 ALDH1A1 (0.77) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL28723241 0.86 ALDH1A1 (0.76) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL11160196 0.86 ALDH1A1 (0.76) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL1417293 0.86 ALDH1A1 (0.76) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL11161509 0.86 ALDH1A1 (0.76) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL8823153 0.86 ALDH1A1 (0.75) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL24508984 0.85 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL2489842 0.85 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDDHODHCDC7
SCHEMBL28209938 0.85 ALDH1A1 (0.73) ALDH1A1HSD17B10HPGDDHODHCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001049686-A1 S-TRIAZINE DERIVATIVES AND THEIR USE AS UV FILTERS L'OREAL (FR) 2001-07-12 — — WO claimed
CN-114057666-B Synthesis method of 4, 5-disubstituted-2-aminothiazole compound 沈阳药科大学 2023-02-07 — — CN disclosed
CN-114057666-A Synthesis method of 4, 5-disubstituted-2-aminothiazole compound 沈阳药科大学 2022-02-18 — — CN disclosed
CN-107089955-B Sulfonamide derivative and preparation method and application thereof 广东东阳光药业有限公司 2020-10-23 — — CN disclosed
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-07-11 — — US disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 — — EP disclosed
US-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-18 — — US disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 — — US disclosed
US-9828360-B2 Pyrrolidinyl urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-11-28 — — US disclosed
EP-3222619-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Holdings Ireland (CH) 2017-09-27 — — EP disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 — — US disclosed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 — — EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 — — WO disclosed
WO-2001090092-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 — — WO disclosed
WO-2001049686-A1 S-TRIAZINE DERIVATIVES AND THEIR USE AS UV FILTERS L'OREAL (FR) 2001-07-12 — — WO disclosed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 — — WO disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 — — EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 — — US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 — — WO disclosed
WO-1996004282-A1 CARBAPENEM COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1996-02-15 — — 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 (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-20180016247-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK ALDH1A1 4758/4885HSD17B10 4507/4885HPGD 2229/4885
US-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK ALDH1A1 4758/4885HSD17B10 4507/4885HPGD 2229/4885
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 ALDH1A1 448/4885HSD17B10 2775/4885HPGD 1163/4885

“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.