SCHEMBL5406405

SCHEMBL5406405

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(N)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PPARD Q03181 16/20 0.41
PPARA Q07869 5/20 0.40
FFAR1 O14842 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL4678018 0.80 NPC1 (0.46) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL6221868 0.76 NPC1 (0.52) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4683036 0.76 NPC1 (0.46) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4854310 0.74 NPC1 (0.50) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4856486 0.74 NPC1 (0.53) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4882934 0.74 NPC1 (0.50) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4856478 0.74 NPC1 (0.53) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4854315 0.74 NPC1 (0.50) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL3371882 0.74 NPC1 (0.53) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4473232 0.74 NPC1 (0.50) NPC1ALDH1A1GAAPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators SMITHKLINE BEECHAM CORPORATION 2005-10-06 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-20050222424-A1 Phenyloxyalkanonic acid derivatives as hppar activators CEL, HPN, LIPA NPC1 511/4885ALDH1A1 826/4885GAA 79/4885

“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.