SCHEMBL2463947

SCHEMBL2463947

Cc1cc(C=CC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CXCL12 P48061 1/20 0.43
PPARD Q03181 7/20 0.42
PPARA Q07869 6/20 0.42
PPARG P37231 5/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
MAOA P21397 1/20 0.40

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
SCHEMBL4741599 0.90 CXCL12 (0.42) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4741598 0.90 CXCL12 (0.42) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL2464435 0.84 PPARD (0.44) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4322487 0.81 RAB9A (0.44) MAPTKMT2AMEN1PPARDPPARA
SCHEMBL2463948 0.81 CYP1A1 (0.41) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4737342 0.81 MAPT (0.41) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4737346 0.81 MAPT (0.41) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4741574 0.79 MAPT (0.56) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4741572 0.79 MAPT (0.56) MAPTKMT2AKDM4EMEN1HSP90AA1
SCHEMBL4739674 0.79 PPARA (0.49) PPARDPPARAPPARGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1424330-B1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-RESPONSIVE RECEPTOR DELTA NIPPON CHEMIPHAR CO (JP) 2011-09-28 EP disclosed
US-7652045-B2 e.g. [[7-Allyl-3-[2-[2-(2,4-dichlorophenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yl]oxy]acetic acid; with vehicles (lactose, D-mannitol, glucose), disintegrators (starch or carboxymethylcellulose calcium ), binders (hydroxypropylcellulose) and lubricants (magnesium stearate or talc) NIPPON CHEMIPHAR, CO., LTD. (JP) 2010-01-26 US disclosed
US-7648999-B2 Activator for peroxisome proliferator-activated receptor δ NIPPON CHEMIPHAR CO., LTD. (JP) 2010-01-19 US disclosed
WO-2008154023-A1 NOVEL USES OF PPAR DELTA AGONISTS CERENIS THERAPEUTICS S.A. (FR) 2008-12-18 WO disclosed
US-20080009525-A1 Activator of peroxisome proliferator-activated receptor delta SAKUMA SHOGO 2008-01-10 US disclosed
US-20080009631-A1 Activator for peroxisome proliferator-activated receptor delta SAKUMA SHOGO 2008-01-10 US disclosed
US-7265137-B2 Activator of peroxisome proliferator-activated re-ceptor δ NIPPON CHEMIPHAR CO., LTD. (JP) 2007-09-04 US disclosed
US-20050054674-A1 Activator of peroxisome proliferator-activated receptor NIPPON CHEMIPHAR CO., LTD. (JP) 2005-03-10 US disclosed
EP-1424330-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-RESPONSIVE RECEPTOR DELTA NIPPON CHEMIPHAR CO., LTD. (JP) 2004-06-02 EP 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 (3 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-20080009525-A1 Activator of peroxisome proliferator-activated receptor delta PPARG, PPARD, PPARA MAPT 4743/4885KMT2A 2682/4885KDM4E 3601/4885
US-20080009631-A1 Activator for peroxisome proliferator-activated receptor delta PPARG, PPARD, PPARA MAPT 4749/4885KMT2A 2694/4885KDM4E 3539/4885
US-20050054674-A1 Activator of peroxisome proliferator-activated receptor PPARG, PPARD, PPARA MAPT 4765/4885KMT2A 2677/4885KDM4E 3677/4885

“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.