SCHEMBL14710344

SCHEMBL14710344

C#Cc1ccc(C2(C(=O)OC)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
KCNA3 P22001 1/20 0.38
HSD11B1 P28845 1/20 0.38
P2RY1 P47900 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
OPRM1 P35372 1/20 0.35

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
SCHEMBL14710667 0.85 OPRM1 (0.40) CTSLCTSBCTSSKCNA3P2RY1
SCHEMBL348764 0.83 PGR (0.44) KCNA3HSD11B1ALDH1A1
SCHEMBL25382378 0.80 CA12 (0.44) KCNA3ALDH1A1SMN1; SMN2
SCHEMBL1464894 0.79 CA12 (0.44) KCNA3HSD11B1P2RY1HRH3ALDH1A1
SCHEMBL844453 0.79 OPRM1 (0.53) HSD11B1HRH3ALDH1A1SMN1; SMN2OPRM1
SCHEMBL14709925 0.79 AKR1C1 (0.50)
SCHEMBL14790277 0.78 KCNA3 (0.36) KCNA3HSD11B1P2RY1HRH3ALDH1A1
SCHEMBL14710297 0.77 HSD11B1 (0.40) KCNA3HSD11B1P2RY1HRH3ALDH1A1
SCHEMBL5641709 0.77 OPRM1 (0.52) KCNA3HSD11B1HRH3ALDH1A1SMN1; SMN2
SCHEMBL20601546 0.77 OPRM1 (0.52) HSD11B1P2RY1HRH3ALDH1A1SMN1; SMN2

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 CTSL 532/4885CTSB 1072/4885CTSS 1018/4885

“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.