SCHEMBL14710302

SCHEMBL14710302

COC(=O)C1(c2ccc(-c3ccc(-c4nnsc4N)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38
LPAR1 Q92633 7/20 0.37
ALDH1A1 P00352 1/20 0.37
LPAR3 Q9UBY5 1/20 0.35
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F10 P00742 1/20 0.33
MAPT P10636 1/20 0.33
AKT1 P31749 1/20 0.33
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
SCHEMBL14794845 0.84 NPSR1 (0.44) HRH3LPAR1ALDH1A1LPAR3GAA
SCHEMBL14710310 0.83 NPSR1 (0.40) HRH3LPAR1ALDH1A1LPAR3GAA
SCHEMBL14790544 0.83 HRH3 (0.39) HRH3LPAR1ALDH1A1LPAR3GAA
SCHEMBL14790543 0.81 HRH3 (0.36) HRH3LPAR1ALDH1A1LPAR3GAA
SCHEMBL14710308 0.79 CFTR (0.41) HRH3ALDH1A1GAAKDM4ENPSR1
SCHEMBL14710807 0.76 HRH3 (0.39) HRH3LPAR1LPAR3F10AKT1
SCHEMBL14711682 0.75 LPAR1 (0.37) HRH3LPAR1ALDH1A1LPAR3NPSR1
SCHEMBL14710311 0.74 SMN1; SMN2 (0.43) LPAR1ALDH1A1LPAR3NPSR1
SCHEMBL1678709 0.73 HRH3 (0.46) HRH3LPAR1GAAKDM4EMAPT
SCHEMBL14710959 0.73 HRH3 (0.37) HRH3LPAR1LPAR3

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 MKNK1 2515/4885MKNK2 2261/4885HRH3 140/4885

“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.