SCHEMBL5418924

SCHEMBL5418924

CCCCCOc1ccc(N(C(=O)C2CCCCC2)c2nc(-c3ccccn3)cs2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM1 Q13255 4/20 0.40
UCHL1 P09936 1/20 0.39
USP30 Q70CQ3 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
GRIA1 P42261 3/20 0.37
S1PR1 P21453 3/20 0.36
S1PR4 O95977 1/20 0.36
S1PR5 Q9H228 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 3/20 0.35
FAAH O00519 2/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4655588 0.89 UCHL1 (0.39) RAB9AGRM1UCHL1USP30THRA
SCHEMBL5427645 0.85 ALDH1A1 (0.44) RAB9AALDH1A1ADORA3L3MBTL1GRM1
SCHEMBL4721050 0.85 NPC1 (0.40) RAB9AALDH1A1L3MBTL1GRM1UCHL1
SCHEMBL4655569 0.84 GRM1 (0.44) ALDH1A1L3MBTL1GRM1THRATHRB
SCHEMBL5431255 0.84 THRA (0.42) GRM1USP30THRATHRBS1PR1
SCHEMBL5420964 0.80 THRA (0.44) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL5434120 0.80 THRA (0.40) ALDH1A1THRATHRBS1PR1S1PR4
SCHEMBL5425263 0.77 GRM1 (0.47) ALDH1A1L3MBTL1GRM1THRATHRB
SCHEMBL4715023 0.76 NPC1 (0.43) RAB9AALDH1A1L3MBTL1GRM1THRA
SCHEMBL4715397 0.75 THRA (0.41) ALDH1A1GRM1THRATHRBS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP claimed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US claimed
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP 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
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 RAB9A 1099/4885ALDH1A1 1136/4885ADORA3 1141/4885

“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.