SCHEMBL4103253

SCHEMBL4103253

Cc1cc(Oc2cn(C(C)(C)C(=O)O)nc2C2CC2)cc(C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DPP4 P27487 1/20 0.32
KCNH2 Q12809 1/20 0.32
PDK1 Q15118 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL4099335 0.91 ALDH1A1 (0.35) SCN9AKDM4EALDH1A1MEN1LMNA
SCHEMBL4105248 0.86 LRRK2 (0.39)
SCHEMBL4105307 0.82 KDM4E (0.34) SCN9AKDM4EALDH1A1MEN1LMNA
SCHEMBL4959644 0.81 EPHX2 (0.47) SCN9AKDM4EALDH1A1MEN1LMNA
SCHEMBL13871292 0.79 FFAR1 (0.34) SCN9AKDM4EALDH1A1MEN1LMNA
SCHEMBL6001520 0.79 KDM4E (0.32) SCN9AKDM4EALDH1A1MEN1LMNA
SCHEMBL4114657 0.78 ALDH1A1 (0.36) SCN9AKDM4EALDH1A1MEN1LMNA
SCHEMBL4923554 0.74 TGFBR1 (0.36)
SCHEMBL4609693 0.74 PGR (0.37) SCN9AKDM4EALDH1A1MEN1LMNA
SCHEMBL4114443 0.71 TGFBR1 (0.35) KDM4EALDH1A1MEN1KMT2ASLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 SCN9A 584/4885KDM4E 3328/4885ALDH1A1 881/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 SCN9A 445/4885KDM4E 3493/4885ALDH1A1 974/4885

“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.