SCHEMBL19554114

SCHEMBL19554114

COc1c(C)cc(C=O)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.49
HSD17B10 Q99714 4/20 0.45
NOTUM Q6P988 1/20 0.40
NPC1 O15118 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 5/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
UNG P13051 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL7807055 0.83 ALDH1A1 (0.51) HSD17B10NPC1CYP2C9RAB9ANPSR1
SCHEMBL470698 0.81 SRC (0.57) SRCALDH1A1KDM4EHPGDTDP1
SCHEMBL10920134 0.78 KDM4E (0.55) HSD17B10NOTUMALDH1A1KDM4EHPGD
SCHEMBL27801015 0.77 TPMT (0.49) HSD17B10NOTUMALDH1A1KDM4EHPGD
SCHEMBL9191019 0.77 KDM4E (0.53) HSD17B10NOTUMALDH1A1KDM4EHPGD
SCHEMBL19100974 0.77 HSD17B10 (0.49) HSD17B10NOTUMALDH1A1KDM4EHPGD
SCHEMBL6291227 0.77 SRC (0.53) SRCRAB9AALDH1A1KDM4EHPGD
SCHEMBL1984171 0.77 HMGB1 (0.55) SRCHSD17B10CYP2C9NPSR1ALDH1A1
SCHEMBL29183498 0.76 FBP1 (0.45) HSD17B10NOTUMCYP2C9RAB9ANPSR1
SCHEMBL1434189 0.76 HSD17B10 (0.52) HSD17B10NOTUMALDH1A1KDM4EHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637431-B2 Process for the preparation of 5-[[[(2S)-2-amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl] [(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino] methyl-2-methoxybenzoic acid and its polymorphs thereof MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2026-05-26 US disclosed
EP-4573078-A1 THIOL ISOMERASES INHIBITORS; PREPARATION THEREOF; AND METHODS OF USE THEREOF Western New England University (US) 2025-06-25 EP disclosed
WO-2024039822-A1 THIOL ISOMERASES INHIBITORS; PREPARATION THEREOF; AND METHODS OF USE THEREOF WESTERN NEW ENGLAND UNIVERSITY (US) 2024-02-22 WO disclosed
US-20190177281-A1 PROCESS FOR THE PREPARATION OF 5-[[[(2S)-2-AMINO-3-[4-(AMINOCARBONYL)-2,6-DIMETHYLPHENYL]-1-OXOPROPYL] [(1S)-1-(4-PHENYL-1H-IMIDAZOL-2-YL)ETHYL]AMINO] METHYL-2-METHOXYBENZOIC ACID AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2019-06-13 US disclosed
WO-2017191650-A1 PROCESS FOR THE PREPARATION OF 5-[[[(2S)-2-AMINO-3-[4-(AMINOCARBONYL)-2,6-DIMETHYLPHENYL]-1-OXOPROPYL][(1S)-1-(4-PHENYL-1H-IMIDAZOL-2-YL)ETHYL]AMINO]METHYL-2-METHOXYBENZOIC ACID AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2017-11-09 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 (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-20190177281-A1 PROCESS FOR THE PREPARATION OF 5-[[[(2S)-2-AMINO-3-[4-(AMINOCARBONYL)-2,6-DIMETHYLPHENYL]-1-OXOPROPYL] [(1S)-1-(4-PHENYL-1H-IMIDAZOL-2-YL)ETHYL]AMINO] METHYL-2-METHOXYBENZOIC ACID AND ITS POLYMORPHS THEREOF CYP1B1, CYP1A1, CYP4B1 SRC 3023/4885HSD17B10 606/4885NOTUM 3143/4885
US-12637431-B2 Process for the preparation of 5-[[[(2S)-2-amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl] [(1S)-1-(4-phenyl-1H-imidazol-2-yl)ethyl]amino] methyl-2-methoxybenzoic acid and its polymorphs thereof OPRD1, OPRK1, OPRM1 SRC 4132/4885HSD17B10 1735/4885NOTUM 3090/4885

“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.