SCHEMBL14711682

SCHEMBL14711682

COC(=O)C1(c2ccc(-c3ccc(-c4nnsc4NN4C(=O)c5ccccc5C4=O)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.37
LPAR3 Q9UBY5 6/20 0.37
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
AKT1 P31749 1/20 0.33
HRH1 P35367 1/20 0.33
HSD11B1 P28845 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE4D Q08499 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F10 P00742 1/20 0.32

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
SCHEMBL14711657 0.76 LPAR1 (0.58) LPAR1LPAR3HRH1
SCHEMBL14710302 0.75 MKNK1 (0.42) LPAR1LPAR3ALDH1A1HRH3AKT1
SCHEMBL14710311 0.75 SMN1; SMN2 (0.43) LPAR1LPAR3ALDH1A1NPSR1HSD17B10
SCHEMBL14794845 0.74 NPSR1 (0.44) LPAR1LPAR3ALDH1A1HRH3NPSR1
SCHEMBL14790543 0.74 HRH3 (0.36) LPAR1LPAR3ALDH1A1HRH3NPSR1
SCHEMBL14711672 0.73 LPAR1 (0.45) LPAR1LPAR3HRH1
SCHEMBL14710310 0.73 NPSR1 (0.40) LPAR1LPAR3ALDH1A1HRH3HSD11B1
SCHEMBL14790544 0.73 HRH3 (0.39) LPAR1LPAR3ALDH1A1HRH3NPSR1
SCHEMBL14710308 0.70 CFTR (0.41) ALDH1A1HRH3NPSR1HSD17B10
SCHEMBL14711674 0.70 NPC1 (0.57) ALDH1A1HRH3

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-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
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
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 LPAR1 1/4885LPAR3 5/4885ALDH1A1 4135/4885

“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.