SCHEMBL14008570

SCHEMBL14008570

COC(=O)C1(c2ccc([N+](=O)[O-])c(F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSK P43235 1/20 0.43
SIRT6 Q8N6T7 1/20 0.38
ESPL1 Q14674 1/20 0.38
APP P05067 3/20 0.37
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
G6PD P11413 1/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 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
SCHEMBL15456848 1.00 ATM (0.44) ATMTDP1CTSKSIRT6ESPL1
SCHEMBL20601440 0.89 ALDH1A1 (0.43) KMT2AMEN1RAB9ALMNA
SCHEMBL30792031 0.84 TTR (0.39) TDP1KMT2AMEN1RAB9ALMNA
SCHEMBL5673703 0.84 LMNA (0.49) TDP1SIRT6KMT2AMEN1LMNA
SCHEMBL30289234 0.84 MAPT (0.45) ATMKMT2AMEN1LMNACYP2C19
SCHEMBL29924837 0.83 APP (0.52) ATMTDP1APPAKR1C3AKR1C2
SCHEMBL30032763 0.83 DTYMK (0.47) TDP1SIRT6AKR1C3AKR1C2AKR1C1
SCHEMBL31430569 0.82 CA12 (0.44) KMT2AMEN1LMNAG6PDCYP2C19
SCHEMBL1464772 0.82 CA12 (0.44) KMT2AMEN1LMNAG6PDCYP2C19
SCHEMBL20703536 0.81 MEN1 (0.47) KMT2AMEN1LMNACYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735426-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-05-27 US disclosed
US-8642657-B2 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
US-8642657-B2 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2008-11-06 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-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions TRPV1, TRPV2, TRPV3 ATM 4388/4885TDP1 4752/4885CTSK 1795/4885

“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.