SCHEMBL512996

SCHEMBL512996

COc1ccc([C]=O)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
ESRRG P62508 1/20 0.40
ESR2 Q92731 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
AR P10275 5/20 0.37
S1PR1 P21453 1/20 0.36
PGR P06401 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL8639006 0.84 ALDH1A1 (0.46) ALDH1A1HPGDHTR2AGAAPGR
SCHEMBL523319 0.82 ESRRB (0.51) ESRRBESR1ESRRAESRRGESR2
SCHEMBL56335 0.77 CA2 (0.48) ALDH1A1HPGDGAAAR
SCHEMBL2093550 0.77 TRPV4 (0.41) ALDH1A1HPGDKDM4EGLAGAA
SCHEMBL6211552 0.76 NOTUM (0.40) ALDH1A1HPGDCTSSCTSKKDM4E
SCHEMBL3349899 0.76 RAB9A (0.50) ALDH1A1HPGD
SCHEMBL5463930 0.75 ABCG2 (0.44) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL1091015 0.75 CYP3A4 (0.42) ALDH1A1HPGDHSD17B10HTR2AHTR2C
SCHEMBL7283993 0.73 KIF11 (0.58) ESRRBESR1ESRRAESRRGESR2
SCHEMBL13347573 0.73 NR3C2 (0.49) PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412706-B1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2014-10-29 EP disclosed
US-8466161-B2 Hydroxamate derivative, a production method for the same, and a pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2013-06-18 US disclosed
US-20120028963-A1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2012-02-02 US disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 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 (2 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-20120028963-A1 NOVEL HYDROXAMATE DERIVATIVE, A PRODUCTION METHOD FOR THE SAME, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HAAO, HPD, HCAR2 ESRRB 3696/4885ESR1 4731/4885ESRRA 4065/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 ESRRB 380/4885ESR1 1765/4885ESRRA 313/4885

“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.