SCHEMBL4036306

SCHEMBL4036306

Cc1noc(-c2ccc(CSCC(=O)NCc3ccco3)cc2)c1NC(=O)OC(C)c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 0.68
LPAR3 Q9UBY5 4/20 0.68
LPAR2 Q9HBW0 2/20 0.68
ALDH1A1 P00352 8/20 0.49
HPGD P15428 6/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
XBP1 P17861 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 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
SCHEMBL4033592 0.90 LPAR1 (0.75) LPAR1LPAR3LPAR2ALDH1A1MAPT
SCHEMBL4032136 0.87 LPAR1 (0.77) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4030210 0.86 LPAR1 (0.70) LPAR1LPAR3LPAR2MAPTSMN1; SMN2
SCHEMBL4030296 0.86 LPAR1 (0.85) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4032471 0.86 LPAR1 (0.79) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4030442 0.84 LPAR1 (0.77) LPAR1LPAR3LPAR2MAPTSMN1; SMN2
SCHEMBL4029648 0.84 LPAR1 (0.81) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4033526 0.83 LPAR1 (0.70) LPAR1LPAR3LPAR2MAPTSMN1; SMN2
SCHEMBL4032482 0.82 LPAR1 (0.85) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4030950 0.82 LPAR1 (0.85) LPAR1LPAR3LPAR2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885LPAR2 4/4885

“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.