SCHEMBL4952297

SCHEMBL4952297

Cc1cc(C(=O)O)ccc1-c1ncccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.67
RORC P51449 6/20 0.53
PPARG P37231 1/20 0.45
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
DHODH Q02127 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4951165 0.86 TRPV1 (0.66) TRPV1SCN5ASCN9A
SCHEMBL4808010 0.85 RORC (0.59) TRPV1RORCPPARG
SCHEMBL4182281 0.84 RORC (0.53) TRPV1RORCPPARGSCN5ASCN9A
SCHEMBL4811838 0.84 TRPV1 (0.52) TRPV1RORCPPARG
SCHEMBL319915 0.79 RORC (0.52) TRPV1RORC
SCHEMBL7920245 0.79 PLA2G2D (0.49) TRPV1RORCPPARGSCN5ASCN9A
SCHEMBL3881337 0.77 TRPV1 (0.65) TRPV1RORCPPARG
SCHEMBL13601671 0.76 RORC (0.47) TRPV1RORC
SCHEMBL13601649 0.76 RORC (0.49) TRPV1RORCPPARG
SCHEMBL6220196 0.75 TRPV1 (0.49) TRPV1SCN5ASCN9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 TRPV1 1004/4885RORC 171/4885PPARG 1029/4885

“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.