SCHEMBL14794847

SCHEMBL14794847

COCOc1nc(C(F)(F)F)ccc1I

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.34
TRPV4 Q9HBA0 1/20 0.31
PTGS2 P35354 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL30358873 0.81 MBOAT4 (0.37) MBOAT4TRPV4TRPV1
SCHEMBL29192570 0.81 MBOAT4 (0.37) MBOAT4TRPV4TRPV1
SCHEMBL14790627 0.76 APOBEC3A (0.33)
SCHEMBL1451448 0.75 KDM4E (0.33)
SCHEMBL31304967 0.75 TRPV1 (0.43) PTGS2TRPV1
SCHEMBL1450792 0.74 CDK1 (0.35) TRPV1
SCHEMBL30960174 0.73 SLC6A4 (0.33) TRPV4
SCHEMBL12630174 0.71 HDAC1 (0.36) TRPV1
SCHEMBL14711299 0.70 SLC6A4 (0.30)
SCHEMBL1451904 0.69 HDAC1 (0.33) TRPV1

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 MBOAT4 776/4885TRPV4 298/4885PTGS2 644/4885

“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.