SCHEMBL9915902

SCHEMBL9915902

C[C@@H](OC(=O)Nc1cnccc1Cl)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.49
LPAR1 Q92633 7/20 0.48
KDM4C Q9H3R0 2/20 0.46
LPAR3 Q9UBY5 3/20 0.46
LRRK2 Q5S007 1/20 0.43
GRM5 P41594 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MCL1 Q07820 1/20 0.39
RORB Q92753 1/20 0.39

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
SCHEMBL27448738 0.84 KCNQ2 (0.54) RORCLPAR1LPAR3GRM5SMN1; SMN2
SCHEMBL9915925 0.80 LPAR1 (0.52) LPAR1KDM4CLPAR3
SCHEMBL29895998 0.77 LPAR1 (0.51) RORCLPAR1KDM4CLPAR3LRRK2
SCHEMBL896819 0.77 MEN1 (0.57) MCL1
SCHEMBL29896002 0.76 GAA (0.57) LPAR1LPAR3LRRK2SMN1; SMN2
SCHEMBL29895995 0.74 LPAR1 (0.53) RORCLPAR1LPAR3LRRK2GRM5
SCHEMBL4435014 0.74 POLB (0.62) SMN1; SMN2
SCHEMBL29895989 0.74 LPAR1 (0.47) RORCLPAR1LPAR3GRM5HCAR2
SCHEMBL15261910 0.73 LPAR1 (0.45) LPAR1LPAR3
SCHEMBL9915929 0.73 LPAR1 (0.45) LPAR1LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272990-B2 Lysophosphatidic acid receptor antagonists and their use in the treatment fibrosis AMIRA PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
EP-2648714-B1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2015-11-18 EP disclosed
US-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS AMIRA PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
WO-2012078593-A2 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2012-06-14 WO 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-20130253004-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT FIBROSIS LPAR2, LPAR1, LPAR4 RORC 551/4885LPAR1 2/4885KDM4C 3696/4885

“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.