SCHEMBL13236550

SCHEMBL13236550

Cc1c(F)cc(S)cc1F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 2/20 0.46
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL24925253 0.86 TRPV4 (0.41) TRPV4HDAC1HDAC6
SCHEMBL30668 0.73 HDAC1 (0.48) HDAC1HDAC6
SCHEMBL67360 0.73 RAPGEF4 (0.42) HDAC1HDAC6
SCHEMBL2096368 0.73 TRPV4 (0.50) TRPV4
SCHEMBL18673225 0.73 HDAC1 (0.42) HDAC1HDAC6
SCHEMBL16707503 0.69 HDAC1 (0.39) HDAC1HDAC6
SCHEMBL19876048 0.69 HDAC1 (0.31) HDAC1HDAC6
SCHEMBL29306263 0.69 TRPV4 (0.33) TRPV4HDAC1HDAC6
SCHEMBL23348689 0.69 HDAC1 (0.31) HDAC1HDAC6
SCHEMBL9192230 0.69 RAPGEF4 (0.35) HDAC1HDAC6

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-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis MERCK SERONO SA (CH) 2010-08-19 — — 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-20100210619-A1 6-Amino-Pyrimidine-4-Carboxamide Derivatives and Related Compounds Which Bind to the Sphingosine 1-Phosphate (S1P) Receptor for the Treatment of Multiple Sclerosis S1PR1, S1PR5, S1PR3 TRPV4 799/4885HDAC1 2239/4885HDAC6 3623/4885

“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.

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