SCHEMBL14710959

SCHEMBL14710959

COC(=O)C1(c2ccc(-c3ccc(-c4nsc(C)c4C(=O)O)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
BACE1 P56817 5/20 0.36
LPAR1 Q92633 7/20 0.36
CFTR P13569 2/20 0.35
LPAR3 Q9UBY5 1/20 0.34
GRM1 Q13255 2/20 0.33
GRM5 P41594 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL14710914 0.88 LPAR1 (0.40) LPAR1CFTRLPAR3
SCHEMBL14711103 0.86 NPSR1 (0.40) HRH3BACE1CFTR
SCHEMBL14710249 0.78 LPAR1 (0.38) HRH3LPAR1LPAR3
SCHEMBL14794845 0.77 NPSR1 (0.44) HRH3LPAR1LPAR3
SCHEMBL899644 0.75 BACE1 (0.52) BACE1GRM1GRM5
SCHEMBL14711658 0.75 LPAR1 (0.56) LPAR1LPAR3
SCHEMBL12691935 0.74 KDR (0.49) PDGFRBKDR
SCHEMBL14710182 0.74 BACE1 (0.42) BACE1
SCHEMBL14711123 0.74 PTGS1 (0.57) LPAR1
SCHEMBL3294243 0.73 DHODH (0.43) BACE1GRM1PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 HRH3 140/4885BACE1 3099/4885LPAR1 1/4885

“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.