SCHEMBL901408

SCHEMBL901408

COC(=O)[C@H](CC(=O)O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.66
CPB1 P15086 1/20 0.66
CPA3 P15088 1/20 0.66
CPB2 Q96IY4 1/20 0.66
LTA4H P09960 2/20 0.59
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 1/20 0.53
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
BIRC2 Q13490 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL1914987 1.00 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL2398335 1.00 CPA1 (0.66) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL1912582 0.91 MMEL1 (0.60) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL9755831 0.88 KMT2A (0.54) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL7506768 0.88 KMT2A (0.54) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL10441763 0.87 LTA4H (0.64) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL3965849 0.87 ESR1 (0.58) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL8999162 0.87 KMT2A (0.53) CPA1CPB1CPA3CPB2KMT2A
SCHEMBL7752235 0.87 KMT2A (0.53) CPA1CPB1CPA3CPB2LTA4H
SCHEMBL22943094 0.87 ANPEP (0.56) CPA1CPB1CPA3CPB2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed
WO-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO disclosed
WO-2003062186-A1 METAL SALTS OF (3S)-3-METHOXYCARBONYL-4-PHENYLBUTYRIC ACID AND USAGE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-07-31 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 (1 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CPA1 953/4885CPB1 939/4885CPA3 739/4885

“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.