SCHEMBL14710264

SCHEMBL14710264

COC(=O)C1(c2ccc(-c3ccc(-c4sncc4C(=O)O)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
LPAR1 Q92633 11/20 0.37
LPAR3 Q9UBY5 3/20 0.34
HSD11B1 P28845 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
AKT1 P31749 1/20 0.32
P2RY1 P47900 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
SCHEMBL14710249 0.76 LPAR1 (0.38) HRH3LPAR1LPAR3HSD11B1LMNA
SCHEMBL14710265 0.74 LPAR1 (0.55) LPAR1LPAR3
SCHEMBL14794845 0.73 NPSR1 (0.44) HRH3LPAR1LPAR3
SCHEMBL1678709 0.72 HRH3 (0.46) HRH3LPAR1HSD11B1
SCHEMBL14564495 0.72 SMN1; SMN2 (0.46)
SCHEMBL14710959 0.72 HRH3 (0.37) HRH3LPAR1LPAR3
SCHEMBL14790395 0.71 LPAR1 (0.38) HRH3LPAR1LPAR3HSD11B1LMNA
SCHEMBL14710620 0.71 TP53 (0.37) HRH3LPAR1LMNAPKMP2RY1
SCHEMBL14710263 0.71 HRH3 (0.45) HRH3LPAR1HSD11B1P2RY1
SCHEMBL14712065 0.71 HRH3 (0.45) HRH3LPAR1HSD11B1

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 HRH3 140/4885LPAR1 1/4885LPAR3 5/4885

“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.