SCHEMBL2054772

SCHEMBL2054772

Cc1nc(C(F)(F)F)ccc1C(=O)NC(CC(C)(C)C)c1nnc(S(=O)(=O)CC2CC2)n1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
RORC P51449 8/20 0.35
GAA P10253 1/20 0.35
KCNK3 O14649 1/20 0.34
CYP2C9 P11712 1/20 0.33
SLC6A9 P48067 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 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
SCHEMBL2097455 0.94 NPC1 (0.38) NPC1RAB9ALMNARORCGAA
SCHEMBL8251813 0.94 NPC1 (0.38) NPC1RAB9ALMNARORCGAA
SCHEMBL2054776 0.92 NPC1 (0.38) NPC1RAB9ALMNARORCGAA
SCHEMBL2054779 0.92 KCNK3 (0.39) NPC1RAB9ALMNARORCGAA
SCHEMBL2054777 0.88 KCNK3 (0.39) NPC1RAB9ALMNARORCKCNK3
SCHEMBL2054774 0.72 RORC (0.32) RORCSLC6A9
SCHEMBL2054775 0.72 NPC1 (0.42) NPC1RAB9ALMNAGAAKCNK3
SCHEMBL2054773 0.71 SLC6A9 (0.42) SLC6A9
SCHEMBL3545067 0.70 NPC1 (0.41) NPC1RAB9ALMNAGAACYP2C9
SCHEMBL2054766 0.69 NPC1 (0.41) NPC1RAB9ALMNAGAASLC6A9

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
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 NPC1 151/4885RAB9A 1643/4885LMNA 3470/4885

“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.