SCHEMBL6372575

SCHEMBL6372575

CC(C)(C)OC(=O)CNc1cccc([C@H](CO)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.39
▸ PTPRC P08575 2/20 0.38
▸ FPR3 P25089 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GRK2 P25098 1/20 0.35
▸ GRK3 P35626 1/20 0.35
▸ VSIR Q9H7M9 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ CPN1 P15169 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35

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
SCHEMBL6372571 1.00 CASR (0.39) CASRPTPRCFPR3FPR2L3MBTL1
SCHEMBL11082669 0.84 FPR3 (0.40) CASRPTPRCFPR3FPR2L3MBTL1
SCHEMBL11082666 0.84 FPR3 (0.40) CASRPTPRCFPR3FPR2L3MBTL1
SCHEMBL6367736 0.82 IDO1 (0.45) CASRMAPTBACE1MEN1KMT2A
SCHEMBL6367739 0.82 IDO1 (0.45) CASRMAPTBACE1MEN1KMT2A
SCHEMBL6367733 0.82 IDO1 (0.45) CASRMAPTBACE1MEN1KMT2A
SCHEMBL303932 0.77 PKM (0.46) PTPRCL3MBTL1MAPTCA12CA1
SCHEMBL4490577 0.77 AKR1C3 (0.60) CASRCA12CA2CA9AKR1C3
SCHEMBL3763507 0.76 VSIR (0.53) PTPRCFPR3FPR2MAPTCA12
SCHEMBL12121617 0.76 MAPT (0.55) MAPTGRK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838478-B2 Amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2005-01-04 — — US disclosed
US-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-14 — — US disclosed
US-6255301-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS ASTRAZENECA AB (SE) 2001-07-03 — — US 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-20020019371-A1 New amino acid derivatives and their use as thrombin inhibitors F2, SERPINC1, FGB CASR 3433/4885PTPRC 1487/4885FPR3 167/4885

“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.

Send feedback