SCHEMBL4685667

SCHEMBL4685667

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
LTA4H P09960 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
FFAR1 O14842 3/20 0.46
PPARA Q07869 8/20 0.45
PPARD Q03181 5/20 0.45
PPARG P37231 4/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
KIF11 P52732 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8919336 0.83 NPC1 (0.57) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL19356276 0.82 NPC1 (0.57) NPC1ALDH1A1GAAMAPTKDM4E
Hydrochloric Acid SCHEMBL5017253 0.81 NPC1 (0.56) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL3822273 0.80 NPC1 (0.58) NPC1ALDH1A1GAAMAPTFFAR1
SCHEMBL10958200 0.79 CDC7 (0.49) NPC1ALDH1A1MAPTKDM4ERAB9A
SCHEMBL13208575 0.79 NPC1 (0.53) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL11926060 0.78 NPC1 (0.56) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL6221868 0.78 NPC1 (0.52) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL2070608 0.77 RAB9A (0.57) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL3825573 0.77 ALDH1A1 (0.74) NPC1ALDH1A1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513796-B1 PHENYLOXYALKANOIC ACID DERIVATIVES AS HPPAR ACTIVATORS SMITHKLINE BEECHAM CORP (US) 2008-02-13 EP disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
US-7241793-B2 Phenyloxyalkanonic acid derivatives as hPPAR activators SMITHKLINE BEECHAM CORPORATION (US) 2007-07-10 US disclosed
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.