SCHEMBL3248209

SCHEMBL3248209

CC=NN(c1ccc(OCCCCCCCC)c(C(F)(F)F)c1)c1nc(-c2cccnc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
GFER P55789 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
S1PR1 P21453 4/20 0.37
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
GAA P10253 2/20 0.36
GRM1 Q13255 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TLR8 Q9NR97 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3248201 1.00 NPC1 (0.40) NPC1GFERATP4AATP4BTHRA
SCHEMBL3122942 0.88 NPC1 (0.43) NPC1GFERATP4AATP4BTHRA
SCHEMBL205980 0.87 NPC1 (0.52) NPC1GFERATP4AATP4BTHRA
SCHEMBL4712080 0.86 NPC1 (0.41) NPC1GFERATP4AATP4BTHRA
SCHEMBL5425565 0.85 S1PR1 (0.36) NPC1ATP4AATP4BTHRATHRB
SCHEMBL4656607 0.84 NPC1 (0.42) NPC1GFERATP4AATP4BTHRA
SCHEMBL3128271 0.84 ATP4A (0.52) NPC1GFERATP4AATP4BMEN1
SCHEMBL3128282 0.84 ATP4A (0.52) NPC1GFERATP4AATP4BMEN1
SCHEMBL4715023 0.84 NPC1 (0.43) NPC1GFERATP4AATP4BTHRA
SCHEMBL5419893 0.84 THRA (0.44) NPC1GFERATP4AATP4BTHRA

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 7 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 claimed
CN-101801964-A Heteroaryl substituted thiazoles and their use as antiviral agents ACHILLION PHARMACEUTICALS INC 2010-08-11 CN claimed
EP-2164846-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS. Achillion Pharmaceuticals, Inc. (US) 2010-03-24 EP claimed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 US claimed
WO-2008147557-A2 HETEROARYL SUBSTITUTED THIAZOLES AND THEIR USE AS ANTIVIRAL AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2008-12-04 WO claimed
US-8183263-B2 Heteroaryl substituted thiazoles ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-22 US disclosed
US-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES ACHILLION PHARMACEUTICALS, INC. (US) 2009-02-12 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-20090041720-A1 HETEROARYL SUBSTITUTED THIAZOLES CYP3A43, CYP3A7, HAVCR2 NPC1 137/4885GFER 1543/4885ATP4A 1793/4885

“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.