SCHEMBL13722017

SCHEMBL13722017

COC(=O)C(C)(C)c1nc(-c2ccccc2)oc1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
TARBP2 Q15633 2/20 0.47
TSHR P16473 2/20 0.46
PPARA Q07869 7/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC9A1 P19634 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4478985 0.84 PTPN1 (0.49) KDM4ETSHRPPARAPPARGPPARD
SCHEMBL9607547 0.77 KDM4E (0.49) KDM4ETARBP2TSHRPPARAPPARG
SCHEMBL2778345 0.74 TARBP2 (0.70) KDM4ETARBP2TSHRGAAALDH1A1
SCHEMBL8690049 0.74 KDM4E (0.47) KDM4ETARBP2TSHRPPARAPPARG
SCHEMBL13722193 0.74 KDM4E (0.50) KDM4ETARBP2TSHRPPARAPPARG
SCHEMBL3523699 0.73 KDR (0.61) PPARAPPARGMAPTPOLB
SCHEMBL4391433 0.72 PPARG (0.60) PPARAPPARGPPARD
SCHEMBL17773179 0.71 TARBP2 (0.58) KDM4ETARBP2TSHRPPARAPPARG
SCHEMBL5856037 0.70 PPARG (0.82) KDM4EPPARAPPARGPPARD
SCHEMBL5857695 0.70 PPARG (0.82) KDM4EPPARAPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA KDM4E 2164/4885TARBP2 4160/4885TSHR 780/4885

“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.