SCHEMBL14794845

SCHEMBL14794845

COC(=O)C1(c2ccc(-c3ccc(-c4nnsc4C(=O)O)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.39
LPAR1 Q92633 7/20 0.39
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14710310 0.89 NPSR1 (0.40) NPSR1GAAKDM4EMAPTALDH1A1
SCHEMBL14710308 0.85 CFTR (0.41) NPSR1GAAKDM4EMAPTALDH1A1
SCHEMBL14710302 0.84 MKNK1 (0.42) NPSR1GAAKDM4EMAPTALDH1A1
SCHEMBL14790544 0.82 HRH3 (0.39) NPSR1GAAKDM4EMAPTALDH1A1
SCHEMBL14790543 0.80 HRH3 (0.36) NPSR1GAAKDM4EMAPTALDH1A1
SCHEMBL14709950 0.78 OPRM1 (0.44) NPSR1KDM4EMAPTALDH1A1
SCHEMBL14710959 0.77 HRH3 (0.37) LPAR1HRH3LPAR3
SCHEMBL14710311 0.75 SMN1; SMN2 (0.43) NPSR1ALDH1A1LPAR1POLBLPAR3
SCHEMBL14711657 0.74 LPAR1 (0.58) LPAR1LPAR3CYP2C9
SCHEMBL14711682 0.74 LPAR1 (0.37) NPSR1ALDH1A1LPAR1HRH3LPAR3

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 2 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

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 NPSR1 259/4885GAA 957/4885KDM4E 4418/4885

“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.