SCHEMBL4030696

SCHEMBL4030696

Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1NC(=O)OC(C)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.77
LPAR3 Q9UBY5 5/20 0.77
ABCC3 O15438 1/20 0.65
ABCC4 O15439 1/20 0.65
ABCB11 O95342 1/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2C9 P11712 1/20 0.65
ABCB4 P21439 1/20 0.65
ABCC2 Q92887 1/20 0.65
SLCO1B3 Q9NPD5 1/20 0.65
SLCO1B1 Q9Y6L6 1/20 0.65
LPAR2 Q9HBW0 2/20 0.54
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.39
ACHE P22303 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
IP6K1 Q92551 1/20 0.39
IP6K3 Q96PC2 1/20 0.39
IP6K2 Q9UHH9 1/20 0.39

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
SCHEMBL15897413 0.92 LPAR1 (0.73) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL15896928 0.89 LPAR1 (0.74) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4030221 0.88 LPAR1 (0.58) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL12153260 0.88 LPAR1 (0.95) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL12153261 0.88 LPAR1 (0.95) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2780170 0.88 LPAR1 (1.00) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4029352 0.87 LPAR1 (0.57) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4030025 0.87 LPAR1 (0.69) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4029347 0.87 LPAR1 (0.57) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4032455 0.87 LPAR1 (0.85) LPAR1LPAR3ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed
US-6964975-B2 Isoxazole and thiazole compounds and use thereof as medicine KIRIN BEER KABUSHIKI KAISHA (JP) 2005-11-15 US claimed
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP disclosed
US-6964975-B2 Isoxazole and thiazole compounds and use thereof as medicine KIRIN BEER KABUSHIKI KAISHA (JP) 2005-11-15 US disclosed
US-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs KYOWA HAKKO KIRIN CO., LTD. (JP) 2003-06-19 US disclosed
EP-1258484-A1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-20 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 (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-20030114505-A1 Novel isoxazole and thiazole compounds and use thereof as drugs LPAR3, LPAR1, LPAR4 LPAR1 2/4885LPAR3 1/4885ABCC3 1476/4885

“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.