SCHEMBL13044910

SCHEMBL13044910

Cc1ccc(S)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.34
▸ COPS5 Q92905 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ACHE P22303 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL30064 0.82 ACHE (0.42) HPGDACHEHTT
SCHEMBL24925254 0.81 PSMD14 (0.33) PSMD14COPS5ACHE
SCHEMBL29117061 0.81 PSMD14 (0.33) PSMD14COPS5ACHE
SCHEMBL15798016 0.77 POLB (0.41) PSMD14COPS5HPGD
SCHEMBL1145664 0.76 — —
SCHEMBL19442816 0.74 ACHE (0.33) HPGDACHE
SCHEMBL11401213 0.73 CA3 (0.33) —
SCHEMBL8034593 0.72 — —
SCHEMBL946276 0.71 CES2 (0.40) —
SCHEMBL18069659 0.71 POLB (0.38) HPGDACHEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260869-A2 Pharmaceutical product Takeda Pharmaceutical Company Limited (JP) 2010-12-15 — — EP disclosed
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
CN-1023699-C Difluoromethyl compounds MERCK PATENT GMBH (DE) 1994-02-09 — — CN disclosed
CN-1039797-A difluoromethyl compound MERCK PATENT GMBH (DE) 1990-02-21 — — CN 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 PSMD14 4576/4885COPS5 3679/4885HPGD 3520/4885

“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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