SCHEMBL4025255

SCHEMBL4025255

CC(OC(=O)Nc1conc1-c1ccc(CCSCCC(=O)O)cc1)c1ccccc1Cl

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 18/20 0.86
LPAR3 Q9UBY5 4/20 0.58
LPAR2 Q9HBW0 2/20 0.58
GLS O94925 1/20 0.36
SCN9A Q15858 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
SCHEMBL4026337 1.00 LPAR1 (0.86) LPAR1LPAR3LPAR2GLSSCN9A
SCHEMBL4022579 0.93 LPAR1 (1.00) LPAR1LPAR3LPAR2SCN9A
SCHEMBL4023280 0.93 LPAR1 (1.00) LPAR1LPAR3LPAR2SCN9A
SCHEMBL4023104 0.93 LPAR1 (1.00) LPAR1LPAR3LPAR2SCN9A
SCHEMBL4023283 0.93 LPAR1 (1.00) LPAR1LPAR3LPAR2SCN9A
SCHEMBL4023746 0.89 LPAR1 (1.00) LPAR1LPAR3LPAR2SCN9A
SCHEMBL4026928 0.89 LPAR1 (1.00) LPAR1LPAR3LPAR2SCN9A
SCHEMBL4029044 0.88 LPAR1 (0.98) LPAR1LPAR3LPAR2
SCHEMBL4029042 0.88 LPAR1 (0.98) LPAR1LPAR3LPAR2
SCHEMBL4026341 0.88 LPAR1 (0.79) LPAR1LPAR3LPAR2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 US 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 (3 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 LPAR1 1/4885LPAR3 3/4885LPAR2 2/4885

“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.