SCHEMBL14711352

SCHEMBL14711352

O=C(Nc1scnc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.44
LPAR1 Q92633 2/20 0.42
LPAR3 Q9UBY5 1/20 0.42
ROCK2 O75116 1/20 0.42
ENPP2 Q13822 2/20 0.41
POLB P06746 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14711064 0.91 SMN1; SMN2 (0.41) MGLLLPAR1LPAR3ROCK2ENPP2
SCHEMBL16556444 0.88 ROCK2 (0.42) MGLLROCK2ENPP2POLBHDAC1
SCHEMBL14710618 0.86 MGLL (0.44) MGLLLPAR1LPAR3ROCK2ENPP2
SCHEMBL14790379 0.85 ROCK2 (0.40) MGLLROCK2ENPP2POLBHDAC1
SCHEMBL14710299 0.85 LPAR1 (0.44) MGLLLPAR1LPAR3ROCK2ENPP2
SCHEMBL14710498 0.83 MGLL (0.46) MGLLLPAR1LPAR3ROCK2ENPP2
SCHEMBL14790383 0.82 POLB (0.46) MGLLROCK2ENPP2POLBHDAC1
SCHEMBL14790380 0.81 KDM1A (0.44) MGLLROCK2ENPP2POLB
SCHEMBL14712091 0.81 MGLL (0.43) MGLLLPAR1LPAR3ROCK2ENPP2
SCHEMBL14710864 0.80 LPAR1 (0.66) 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 3 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-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 MGLL 102/4885LPAR1 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.