Sugi Predict

Sugi Predict / Compounds / SCHEMBL671514

SCHEMBL671514

SCHEMBL671514

CCC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.67
▸ MAPK1 P28482 1/20 0.62
▸ CES1 P23141 2/20 0.61
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ TSHR P16473 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ MMP8 P22894 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ ESR1 P03372 1/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ ESR2 Q92731 1/20 0.54
▸ CES2 O00748 1/20 0.53
▸ SRD5A2 P31213 1/20 0.53
▸ HSD11B1 P28845 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52

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
SCHEMBL16690227 0.94 GSK3B (0.61) GSK3BMAPK1CES1CA1CA2
Water SCHEMBL29199054 0.93 GSK3B (0.59) GSK3BMAPK1CES1CA1CA2
SCHEMBL9788763 0.90 SRD5A2 (0.60) GSK3BMAPK1ALDH1A1SRD5A2LMNA
SCHEMBL9439988 0.85 GSK3B (0.62) GSK3BMAPK1CES1CA1CA2
Bromide SCHEMBL11696820 0.84 LTA4H (0.62) GSK3BMAPK1CES1CA1CA2
SCHEMBL11510574 0.83 GSK3B (0.71) GSK3BMAPK1CES1CA1CA2
SCHEMBL240086 0.83 GSK3B (0.71) GSK3BMAPK1CES1CA1CA2
SCHEMBL18304253 0.83 CRHBP (0.52) GSK3BMAPK1CES1TDP1ALDH1A1
SCHEMBL29101989 0.82 CES1 (0.70) GSK3BMAPK1CES1CA1CA2
SCHEMBL9439971 0.82 HSD17B3 (0.61) GSK3BMAPK1CES1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110194776-B Synthetic method of Ruogeli 四川伊诺达博医药科技有限公司 2021-05-28 — — CN claimed
CN-110194776-A A kind of synthetic method of Rui Lugeli 四川伊诺达博医药科技有限公司 2019-09-03 — — CN claimed
CN-108238949-A The synthetic method of chloramphenicol pharmaceutical intermediate p-nitroacetophenone 成都切斯特科技有限公司 2018-07-03 — — CN claimed
CN-104119287-B Novel Acrosin inhibitor of isoxazole and preparation method thereof ARMY MEDICAL UNIV. NO.2, CHINESE PLA (CN) 2016-04-20 — — CN claimed
EP-2567964-B1 Monomer compositions for the synthesis of RNA, methods of synthesis, and methods of deprotection AGILENT TECHNOLOGIES INC (US) 2015-02-11 — — EP claimed
CN-104119275-A Novel pyrazole acrosin inhibitor and preparation method thereof UNIV PLA 2ND MILITARY MEDICAL 2014-10-29 — — CN claimed
CN-104119287-A Isoxazole novel acrosin inhibitor and preparation method thereof UNIV PLA 2ND MILITARY MEDICAL 2014-10-29 — — CN claimed
EP-2567964-A2 Monomer Compositions for the Synthesis of RNA, Methods of Synthesis, and Methods of Deprotection Agilent Technologies, Inc. (US) 2013-03-13 — — EP claimed
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES CODEXIS INC (US) 2026-01-29 — — US disclosed
US-12448611-B2 Transaminase polypeptides CODEXIS, INC. (US) 2025-10-21 — — US disclosed
US-12378537-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2025-08-05 — — US disclosed
EP-4577644-A1 BIOCATALYSTS AND METHODS THEREOF Tesaro, Inc. (US) 2025-07-02 — — EP disclosed
US-12305201-B2 Engineered biocatalysts and methods for synthesizing chiral amines CODEXIS, INC. (US) 2025-05-20 — — US disclosed
US-20250101389-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF SUBSTITUTED LACTAMS CODEXIS INC (US) 2025-03-27 — — US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 — — WO disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 — — US disclosed
US-6133018-A Enzymatic synthesis of chiral amines using -2-amino propane as amine donor CELGRO (US) 2000-10-17 — — US disclosed
CN-1019388-B Process for preparing N-alkylsulfonamide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 — — CN disclosed
CN-88103277-A Novel N-alkane sulfonyl aniline derivatives and preparation method thereof and the pharmaceutical composition that comprises this material — 1988-12-07 — — CN disclosed
CN-87108295-A New alkane sulfonyl aniline derivative and its medicinal compositions and preparation method — 1988-07-13 — — CN 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-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK GSK3B 801/4885MAPK1 185/4885CES1 2190/4885
US-20250101389-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF SUBSTITUTED LACTAMS BCAT1, GOT1, OAT GSK3B 2686/4885MAPK1 4636/4885CES1 192/4885
US-20260028600-A1 TRANSAMINASE POLYPEPTIDES GOT1, OAT, PEPD GSK3B 1701/4885MAPK1 3372/4885CES1 100/4885

“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.