SCHEMBL2593397

SCHEMBL2593397

COc1cc(CC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
GAA P10253 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CA5A P35218 1/20 0.54
PTGS1 P23219 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TTR P02766 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
CHEK1 O14757 1/20 0.46
SELL P14151 1/20 0.45
SELP P16109 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL5673785 1.00 ALDH1A1 (0.60) ALDH1A1GAATDP1TSHRNFKB1
SCHEMBL2976618 0.88 GAA (0.60) ALDH1A1GAATDP1TSHRNFKB1
SCHEMBL2976612 0.88 GAA (0.60) ALDH1A1GAATDP1TSHRNFKB1
SCHEMBL25734367 0.88 ALDH1A1 (0.49) ALDH1A1GAATDP1TSHRNFKB1
SCHEMBL2593349 0.87 CYP1A2 (0.50) ALDH1A1GAATDP1TSHRNFKB1
SCHEMBL6588549 0.87 CYP1A2 (0.47) ALDH1A1GAATDP1TSHRNFKB1
SCHEMBL5065594 0.87 CYP1A2 (0.50) ALDH1A1GAATDP1TSHRNFKB1
SCHEMBL17312333 0.85 GAA (0.47) ALDH1A1GAATDP1TSHRNFKB1
SCHEMBL9384240 0.85 MAPT (0.50) ALDH1A1TDP1CYP1A2CYP3A4CYP2C19
SCHEMBL4034078 0.85 GAA (0.47) ALDH1A1GAATDP1TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 US disclosed
EP-3573972-B1 RORGAMMA MODULATORS AND USES THEREOF GENFIT (FR) 2026-01-14 EP disclosed
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof ENANTA PHARM INC (US) 2025-12-11 US disclosed
US-12384753-B2 17-beta-hydroxysteroid dehydrogenase type 13 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2025-08-12 US disclosed
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 EP disclosed
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 CN disclosed
CN-117580836-A Pyrimidine ring structure derivative and application thereof 四川汇宇制药股份有限公司 2024-02-20 CN disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALITY S.A. (CH) 2023-07-20 US disclosed
EP-1737826-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-03 EP disclosed
EP-1658265-A4 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUENENTHAL GMBH (DE) 2006-11-29 EP disclosed
EP-1658265-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Grünenthal GmbH (DE) 2006-05-24 EP disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 WO disclosed
WO-2005003084-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUNENTHAL GMBH (DE) 2005-01-13 WO disclosed
EP-0569380-B1 ACRIDINE DERIVATIVES GLAXO LAB SA (FR) 1997-05-28 EP disclosed
US-5604237-A IMPROVE OR INCREASE EFFICACY OF ANTITUMOR AGENT, INCREASE OR RESTORE SENSITIVITY OF TUMOR TO ANTITUMOR AGENT, REVERSE OR REDUCE RESISTANCE OF TUMOR TO ANTITUMOR AGENT LABORATOIRES GLAXO SA (FR) 1997-02-18 US disclosed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 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 (4 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-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 ALDH1A1 4346/4885GAA 4486/4885TDP1 714/4885
US-20250376452-A1 17-Beta-Hydroxysteroid Dehydrogenase Type 13 Inhibitors and Methods of Use Thereof HSD17B1, HSD17B13, HSD17B3 ALDH1A1 125/4885GAA 389/4885TDP1 3118/4885
US-12384753-B2 17-beta-hydroxysteroid dehydrogenase type 13 inhibitors and methods of use thereof HSD17B1, HSD17B13, HSD17B3 ALDH1A1 125/4885GAA 389/4885TDP1 3118/4885
US-20230227483-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP3K4, MAP4K2 ALDH1A1 2196/4885GAA 1046/4885TDP1 297/4885

“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.