SCHEMBL4031685

SCHEMBL4031685

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.59
LPAR3 Q9UBY5 3/20 0.59
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
ABCB4 P21439 1/20 0.51
ABCC2 Q92887 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
LPAR2 Q9HBW0 2/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TRPA1 O75762 1/20 0.43
EP300 Q09472 5/20 0.39
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 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
SCHEMBL4031921 0.86 LPAR1 (0.80) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4028428 0.85 LPAR1 (0.61) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4028767 0.82 LPAR1 (0.60) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4031913 0.80 LPAR1 (0.55) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4033554 0.80 LPAR1 (0.68) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL13283929 0.79 LPAR1 (0.59) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4031915 0.79 LPAR1 (0.54) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL6374868 0.79 LPAR1 (0.60) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4027976 0.78 MAPT (0.49) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL342374 0.78 LPAR1 (0.66) 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.