SCHEMBL4028128

SCHEMBL4028128

Cc1onc(-c2ccccc2)c1NC(=O)O[C@H](C)c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.50
LPAR3 Q9UBY5 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.48
LPAR2 Q9HBW0 1/20 0.44
TP53 P04637 1/20 0.43
NTRK1 P04629 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GABRA5 P31644 1/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41

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
SCHEMBL4031194 1.00 LPAR1 (0.50) LPAR1LPAR3NPSR1MAPTLPAR2
SCHEMBL4034577 0.89 LPAR1 (0.52) LPAR1LPAR3NPSR1MAPTLPAR2
SCHEMBL4030336 0.87 MAPT (0.51) LPAR1LPAR3NPSR1MAPTLPAR2
SCHEMBL4029085 0.87 LPAR1 (0.58) LPAR1LPAR3NPSR1MAPTLPAR2
SCHEMBL4028917 0.87 LPAR1 (0.58) LPAR1LPAR3NPSR1MAPTLPAR2
SCHEMBL4028365 0.85 LPAR1 (0.67) LPAR1LPAR3NPSR1MAPTTP53
SCHEMBL4031106 0.85 LPAR1 (0.67) LPAR1LPAR3NPSR1MAPTTP53
SCHEMBL4032557 0.85 LPAR1 (0.67) LPAR1LPAR3NPSR1MAPTTP53
SCHEMBL11977991 0.84 MAPT (0.44) LPAR1LPAR3NPSR1MAPTLPAR2
SCHEMBL11979371 0.84 LPAR1 (0.55) LPAR1LPAR3NPSR1MAPTLPAR2

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 1/4885NPSR1 194/4885

“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.