SCHEMBL2825933

SCHEMBL2825933

CCCc1c(C(=O)OCC)cnn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 4/20 0.42
NPBWR1 P48145 1/20 0.42
TRPC1 P48995 1/20 0.42
TRPC3 Q13507 1/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
STIM2 Q9P246 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL14972983 0.85 MAPT (0.49) NPC1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL5382860 0.85 SMN1; SMN2 (0.58) NPC1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL14973224 0.84 MAPT (0.48) NPC1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL3354812 0.84 NPC1 (0.56) NPC1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL14973210 0.80 MAPT (0.50) NPC1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL14973236 0.78 MAPT (0.43) NPC1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL16246946 0.77 NPC1 (0.58) NPC1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL2508219 0.76 NPC1 (0.55) NPC1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL2819339 0.76 GRM2 (0.42) NPC1LMNAMAPTSMN1; SMN2RAB9A
SCHEMBL21333190 0.75 SMN1; SMN2 (0.60) NPC1LMNASMN1; SMN2KMT2AALDH1A1

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG NPC1 366/4885LMNA 1512/4885MAPT 4229/4885

“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.