SCHEMBL5420964

SCHEMBL5420964

CCCCCOc1ccc(N(C(=O)C2CC2)c2nc(CN(C)C)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.44
THRB P10828 5/20 0.44
S1PR1 P21453 5/20 0.38
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
SPHK2 Q9NRA0 2/20 0.35
ALOX5 P09917 1/20 0.34
PSEN1 P49768 1/20 0.34
NR1H2 P55055 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NR1H3 Q13133 1/20 0.33
CTSS P25774 3/20 0.31
CTSK P43235 2/20 0.31
PLA2G2D Q9UNK4 1/20 0.31
ULK1 O75385 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
SCHEMBL5434120 0.89 THRA (0.40) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5439867 0.89 THRA (0.47) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5431258 0.87 THRA (0.45) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5417731 0.86 THRA (0.44) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5431255 0.82 THRA (0.42) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4721050 0.82 NPC1 (0.40) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5418924 0.80 RAB9A (0.40) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5418974 0.79 THRA (0.43) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL4655588 0.79 UCHL1 (0.39) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5422656 0.78 THRA (0.42) THRATHRBS1PR1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 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-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 THRA 4325/4885THRB 4066/4885S1PR1 4365/4885

“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.