SCHEMBL14711162

SCHEMBL14711162

COC(=O)C1(c2ccc(-c3ccc(-n4cnnc4NC(=O)OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ROCK2 O75116 1/20 0.38
LPAR1 Q92633 4/20 0.38
CCKBR P32239 1/20 0.38
MGLL Q99685 2/20 0.38
TSHR P16473 1/20 0.38
FSHR P23945 1/20 0.38
HRH1 P35367 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36

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
SCHEMBL14711186 0.92 LPAR1 (0.43) MAP3K5ROCK2LPAR1CCKBRMGLL
SCHEMBL14711391 0.84 LPAR1 (0.42) SMN1; SMN2ROCK2LPAR1MGLLTSHR
SCHEMBL14710292 0.83 LPAR1 (0.57) LPAR1HRH1
SCHEMBL16697937 0.83 LPAR1 (0.57) LPAR1HRH1
SCHEMBL14790514 0.82 LPAR1 (0.44) MAP3K5LPAR1HRH1
SCHEMBL14710295 0.79 LPAR1 (0.61) SMN1; SMN2LPAR1MGLLHRH1
SCHEMBL14710311 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ROCK2LPAR1MGLLTSHR
SCHEMBL14710769 0.77 LPAR1 (0.43) SMN1; SMN2ROCK2LPAR1MGLL
SCHEMBL12989804 0.76 LPAR1 (0.61) SMN1; SMN2ROCK2LPAR1
SCHEMBL14711284 0.76 LPAR1 (0.48) ROCK2LPAR1MGLLHRH1POLB

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 MAP3K5 1811/4885SMN1; SMN2 3450/4885ROCK2 1939/4885

“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.