SCHEMBL4482083

SCHEMBL4482083

CC(C)c1nc(-c2ccc(Br)cc2)oc1C(C)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.39
RAB9A P51151 5/20 0.37
MAPT P10636 5/20 0.37
KMT2A Q03164 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
NPC1 O15118 5/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DGAT1 O75907 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 2/20 0.34
RECQL P46063 1/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4469328 0.84 TARBP2 (0.39) TARBP2RAB9AMAPTKMT2AESR1
SCHEMBL4463506 0.82 IKBKB (0.41) KDM4EHSD17B10HDAC6POLBALDH1A1
SCHEMBL5217558 0.81 TARBP2 (0.49) TARBP2RAB9AMAPTKMT2ANPC1
SCHEMBL4473360 0.79 TARBP2 (0.41) TARBP2RAB9AMAPTKMT2AESR1
SCHEMBL4469968 0.79 NOTUM (0.40) KMT2AKDM4EHDAC6HPGDHDAC1
SCHEMBL6221124 0.77 TARBP2 (0.39) TARBP2RAB9AMAPTKMT2AESR1
SCHEMBL5500914 0.72 TARBP2 (0.49) TARBP2RAB9AMAPTKMT2ANPC1
SCHEMBL5998843 0.72 PPARD (0.41) MAPTKMT2AKDM4EPOLB
SCHEMBL4473392 0.71 NPC1 (0.39) TARBP2RAB9AMAPTKMT2ANPC1
SCHEMBL5220663 0.71 RAB9A (0.36) TARBP2RAB9AMAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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 (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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG TARBP2 4039/4885RAB9A 3823/4885MAPT 2395/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD TARBP2 3484/4885RAB9A 3861/4885MAPT 4851/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD TARBP2 3376/4885RAB9A 2722/4885MAPT 3515/4885

“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.