SCHEMBL540214

SCHEMBL540214

N[C@H](CO)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
IDO1 P14902 1/20 0.51
SLC15A1 P46059 1/20 0.49
LTA4H P09960 1/20 0.49
LAP3 P28838 1/20 0.49
SLC1A1 P43005 4/20 0.49
SLC1A3 P43003 3/20 0.49
SLC1A2 P43004 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALPI P09923 1/20 0.48

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
SCHEMBL218263 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL218262 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL3259892 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL543358 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Hydrochloric Acid SCHEMBL1368802 0.98 ALDH1A1 (0.52) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Trifluoroacetic Acid SCHEMBL27745869 0.91 SLC15A1 (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12614963 0.88 TSHR (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12614096 0.88 TSHR (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL12614965 0.88 TSHR (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL19331556 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319660-B2 Preparation of substituted diaminopyrazine dicarboxylic acids MEDIBEACON INC. (US) 2025-06-03 US claimed
EP-4313172-A1 PREPARATION OF SUBSTITUTED DIAMINOPYRAZINE DICARBOXYLIC ACIDS Medibeacon Inc. (US) 2024-02-07 EP claimed
CN-117241839-A Preparation of substituted diaminopyrazine dicarboxylic acids 麦迪贝肯有限公司 2023-12-15 CN claimed
US-20220324818-A1 PREPARATION OF SUBSTITUTED DIAMINOPYRAZINE DICARBOXYLIC ACIDS MEDIBEACON INC. 2022-10-13 US claimed
WO-2022212077-A1 PREPARATION OF SUBSTITUTED DIAMINOPYRAZINE DICARBOXYLIC ACIDS MEDIBEACON INC. (US) 2022-10-06 WO claimed
EP-4019528-B1 BILE ACID DERIVATIVE, COMPOSITION AND APPLICATION THEREOF SHENZHEN YUNHE PHARMACEUTICAL TECH PARTNERSHIP LIMITED (CN) 2026-01-28 EP disclosed
US-12491190-B2 Bile acid derivative, composition and application thereof SHENZHEN YUNHE PHARMACEUTICAL TECHNOLOGY PARTNERSHIP (LIMITED) (CN) 2025-12-09 US disclosed
EP-3700578-B1 SYSTEMS FOR RENAL FUNCTION DETERMINATION MEDIBEACON INC (US) 2025-12-03 EP disclosed
EP-4656201-A2 RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-12-03 EP disclosed
US-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS Revolution Medicines, Inc. 2025-06-19 US disclosed
CN-115873020-B RAS inhibitors 锐新医药公司 2025-06-13 CN disclosed
US-12319660-B2 Preparation of substituted diaminopyrazine dicarboxylic acids MEDIBEACON INC. (US) 2025-06-03 US disclosed
US-5972926-A REACTING A DIAMINE DERIVATIVE WITH PYRIDINE OR PYRIZINE 2,3-DICARBOXYLIC ACID OR 2,3-CARBOXYLIC ANHYDRIDE, CONVERTING THE COMPOUND INTO A SALT, RESOLVING THE FORMED COMPOUND INTO ITS ISOMER NYCOMED IMAGING AS (NO) 1999-10-26 US disclosed
WO-1998050399-A1 AMINOALKYL GLUCOSAMINE PHOSPHATE COMPOUNDS AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 1998-11-12 WO disclosed
WO-1998043663-A1 SANDRAMYCIN ANALOGS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-10-08 WO disclosed
US-5693772-A PROTECTING ACID AND HYDROXY GROUPS OF BENANOMICIN A, REDUCTION OF AMIDE TO IMIDOESTER WITH MEERWEIN REAGENT, DEPROTECTING, REFLUXING IN ACETONE/WATER MIXTURE TO CLEAVE IMIDOESTER AND FORM CARBOXY GROUP ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-12-02 US disclosed
WO-1997042179-A1 ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1997-11-13 WO disclosed
EP-0799208-A1 PYRIDINE AND PYRAZINEDICARBOXYLIC-ACID DERIVATIVES AS CELL PROLIFERATION REGULATORS NYCOMED IMAGING AS (NO) 1997-10-08 EP disclosed
WO-1996019457-A1 PYRIDINE AND PYRAZINEDICARBOXYLIC-ACID DERIVATIVES AS CELL PROLIFERATION REGULATORS NYCOMED IMAGING AS (NO) 1996-06-27 WO disclosed
EP-0684253-A1 DESALANINEBENANOMICIN A DERIVATIVE AND PRODUCTION THEREOF ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1995-11-29 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-20250195521-A1 USE OF SOS1 INHIBITORS TO TREAT MALIGNANCIES WITH SHP2 MUTATIONS SOS1, PPM1D, PTPN1 ALDH1A1 4135/4885KMT2A 1017/4885MAPK1 202/4885
US-12319660-B2 Preparation of substituted diaminopyrazine dicarboxylic acids DDC, DPYD, SDHA ALDH1A1 205/4885KMT2A 1466/4885MAPK1 2650/4885
US-20220324818-A1 PREPARATION OF SUBSTITUTED DIAMINOPYRAZINE DICARBOXYLIC ACIDS DDC, DPYD, SDHA ALDH1A1 205/4885KMT2A 1466/4885MAPK1 2650/4885
US-12491190-B2 Bile acid derivative, composition and application thereof NR1H4, GPBAR1, GLP1R ALDH1A1 4168/4885KMT2A 4487/4885MAPK1 2237/4885

“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.