SCHEMBL14710769

SCHEMBL14710769

COC(=O)C1(c2ccc(-c3ccc(-c4ncn(C)c4NC(=O)OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.43
LPAR3 Q9UBY5 5/20 0.43
MGLL Q99685 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.39
NTRK1 P04629 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
CSNK1D P48730 1/20 0.38

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
SCHEMBL14710772 0.93 LPAR1 (0.51) LPAR1LPAR3MGLL
SCHEMBL14710283 0.83 LPAR1 (0.65) LPAR1LPAR3
SCHEMBL16210862 0.83 LPAR1 (0.65) LPAR1LPAR3
SCHEMBL12989804 0.82 LPAR1 (0.61) LPAR1LPAR3SMN1; SMN2ROCK2
SCHEMBL14711064 0.81 SMN1; SMN2 (0.41) LPAR1LPAR3MGLLSMN1; SMN2ROCK2
SCHEMBL14790495 0.80 ROCK2 (0.39) LPAR1LPAR3MGLLSMN1; SMN2ROCK2
SCHEMBL14711376 0.80 NPC1 (0.39) MGLLSMN1; SMN2ROCK2CSNK1D
SCHEMBL14710311 0.79 SMN1; SMN2 (0.43) LPAR1LPAR3MGLLSMN1; SMN2ROCK2
SCHEMBL14710295 0.78 LPAR1 (0.61) LPAR1LPAR3MGLLSMN1; SMN2
SCHEMBL14712129 0.78 LPAR1 (0.52) 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 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 5/4885MGLL 102/4885

“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.