SCHEMBL498104

SCHEMBL498104

CCCCCCCCc1ccc(N)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.50
NR1H2 P55055 1/20 0.48
TSHR P16473 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
TYR P14679 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
ALOX5 P09917 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRC P12931 1/20 0.40
HTR2A P28223 1/20 0.40
TLR8 Q9NR97 1/20 0.38
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL11798096 0.93 NR1H2 (0.50) S1PR1NR1H2TSHRGLAGAA
SCHEMBL26460616 0.90 GAA (0.55) S1PR1NR1H2TSHRGLAGAA
SCHEMBL11802082 0.86 NR1H2 (0.53) S1PR1NR1H2TSHRGLAGAA
SCHEMBL2797579 0.83 GAA (0.48) S1PR1NR1H2TSHRGLAGAA
SCHEMBL2795028 0.82 GAA (0.47) S1PR1NR1H2TSHRGLAGAA
SCHEMBL2795017 0.81 GAA (0.50) S1PR1NR1H2TSHRGLAGAA
SCHEMBL18085142 0.81 S1PR1 (0.47) S1PR1TSHRTYRCYP3A4MAPT
SCHEMBL5111216 0.79 NR1H2 (0.47) NR1H2TSHRGLAGAAPOLB
SCHEMBL282158 0.79 NR1H2 (0.55) NR1H2TSHRGLAGAAPOLB
SCHEMBL22731335 0.78 S1PR1 (0.46) S1PR1TSHRTYRCYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-8106209-B2 Substituted aminothiazole prodrugs of compounds with anti-HCV activity ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106209-B2 Substituted aminothiazole prodrugs of compounds with anti-HCV activity ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-2297143-A1 SUBSTITUTED AMINOTHIAZOLE PRODRUGS OF COMPOUNDS WITH ANTI-HCV ACTIVITY Achillion Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009149436-A1 SUBSTITUTED AMINOTHIAZOLE PRODRUGS OF COMPOUNDS WITH ANTI-HCV ACTIVITY ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 WO disclosed
US-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2009-12-10 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US disclosed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 WO 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 (2 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-20090304605-A1 Substituted Aminothiazole Prodrugs of Compounds with Anti-HCV Activity BCAT1, CCNT1, EIF2AK2 S1PR1 3081/4885NR1H2 1538/4885TSHR 3235/4885
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 S1PR1 3564/4885NR1H2 329/4885TSHR 145/4885

“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.