SCHEMBL4029141

SCHEMBL4029141

Cc1noc(-c2ccccc2)c1NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.62
LPAR3 Q9UBY5 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LPAR2 Q9HBW0 2/20 0.51
MGLL Q99685 2/20 0.49
POLB P06746 1/20 0.48
CYP2C9 P11712 2/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP2C8 P10632 1/20 0.48
ABCB4 P21439 1/20 0.48
ABCC2 Q92887 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL343051 0.92 LPAR1 (0.56) LPAR1LPAR3SMN1; SMN2KDM4EMAPT
SCHEMBL20029261 0.88 LPAR1 (0.54) LPAR1LPAR3SMN1; SMN2KDM4EMAPT
SCHEMBL15897074 0.85 LPAR1 (0.48) LPAR1LPAR3SMN1; SMN2KDM4EMAPT
SCHEMBL343594 0.85 LPAR1 (0.69) LPAR1LPAR3SMN1; SMN2KDM4EMAPT
SCHEMBL30472637 0.84 SMN1; SMN2 (0.49) LPAR1LPAR3SMN1; SMN2KDM4ENPC1
SCHEMBL28398519 0.84 LPAR1 (0.49) LPAR1LPAR3SMN1; SMN2KDM4EMAPT
SCHEMBL342658 0.83 LPAR1 (0.59) LPAR1LPAR3SMN1; SMN2KDM4EMAPT
SCHEMBL31452200 0.83 SMN1; SMN2 (0.48) LPAR1LPAR3SMN1; SMN2KDM4ENPC1
SCHEMBL31452190 0.83 SMN1; SMN2 (0.48) LPAR1LPAR3SMN1; SMN2KDM4EMAPT
SCHEMBL16477032 0.82 LPAR1 (0.47) LPAR1LPAR3SMN1; SMN2KDM4EMAPT

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 1/4885SMN1; SMN2 4361/4885

“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.