SCHEMBL4655591

SCHEMBL4655591

O=C(O)CCC(=O)N(c1ccc(OCCCCc2cccs2)c(C(F)(F)F)c1)c1nc(-c2cccnc2)c(F)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 5/20 0.34
PPARD Q03181 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 2/20 0.33
FYN P06241 1/20 0.33
EIF4EBP1 Q13541 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.32
S1PR1 P21453 1/20 0.32
POLB P06746 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
OPRK1 P41145 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5424385 0.91 ALDH1A1 (0.35) NPC1ALDH1A1PPARDKDM4EHSD17B10
SCHEMBL4657791 0.89 THRA (0.40) ALDH1A1PPARDKDM4EHSD17B10SMN1; SMN2
SCHEMBL5425171 0.84 OPRK1 (0.34) NPC1ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL4655579 0.81 THRA (0.39) ALDH1A1PPARDKDM4ESMN1; SMN2EIF4EBP1
SCHEMBL4655546 0.81 S1PR1 (0.38) ALDH1A1PPARDKDM4ESMN1; SMN2EIF4EBP1
SCHEMBL4656435 0.80 THRA (0.42) ALDH1A1PPARDKDM4ESMN1; SMN2EIF4EBP1
SCHEMBL5418991 0.79 THRA (0.40) NPC1ALDH1A1PPARDKDM4ESMN1; SMN2
SCHEMBL4657828 0.79 S1PR1 (0.40) ALDH1A1PPARDKDM4ESMN1; SMN2EIF4EBP1
SCHEMBL4657830 0.78 S1PR1 (0.41) NPC1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL4655568 0.78 THRA (0.37) ALDH1A1PPARDKDM4ESMN1; SMN2EIF4EBP1

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 8 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
EP-1996565-A2 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES WITH ANTI-HCV ACTIVITY Achillion Pharmaceuticals, Inc. (US) 2008-12-03 EP claimed
WO-2007103550-A2 SUBSTITUTED AMINOTHIAZOLE DERIVATIVES WITH ANTI-HCV ACTIVITY ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 WO 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 NPC1 1995/4885ALDH1A1 1136/4885PPARD 3741/4885

“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.