SCHEMBL117369

SCHEMBL117369

COC1(OC)C(NC(=O)c2ccc(C(F)(F)F)cc2O)=CC(=O)C2OC21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.39
TMPRSS4 Q9NRS4 3/20 0.39
P2RX4 Q99571 2/20 0.39
P2RX7 Q99572 2/20 0.39
STK39 Q9UEW8 1/20 0.38
SORT1 Q99523 2/20 0.36
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
SCN8A Q9UQD0 3/20 0.36
SCN10A Q9Y5Y9 3/20 0.36
KCNMA1 Q12791 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CFTR P13569 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5706486 0.83 MEN1 (0.44) KCNMA1KDM4EHPGDNPC1RAB9A
SCHEMBL353750 0.75 KMT2A (0.36) KDM4ENPC1RAB9A
SCHEMBL352333 0.74 RAB9A (0.41) KDM4ENPC1RAB9ARXFP1
SCHEMBL115015 0.73 P2RX1 (0.44) P2RX1TMPRSS4P2RX4P2RX7STK39
SCHEMBL116427 0.72 PARK7 (0.48) P2RX1TMPRSS4P2RX4P2RX7STK39
SCHEMBL23303570 0.68 P2RX1 (0.60) P2RX1TMPRSS4P2RX4P2RX7SORT1
SCHEMBL4928355 0.68 P2RX1 (0.76) P2RX1TMPRSS4P2RX4P2RX7
SCHEMBL23303863 0.67 P2RX1 (0.59) P2RX1TMPRSS4P2RX4P2RX7SORT1
SCHEMBL422201 0.66 CFTR (0.69) KDM4EHPGDCFTR
SCHEMBL9329716 0.65 TRPV1 (0.61) P2RX1TMPRSS4P2RX4P2RX7STK39

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424850-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) Profectus Biosciences, Inc. (US) 2012-03-07 EP disclosed
US-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) PROFECTUS BIOSCIENCES, INC. (US) 2012-02-23 US disclosed
WO-2010127058-A1 BENZAMIDE AND NAPHTHAMIDE DERIVATIVES INHIBITING NUCLEAR FACTOR- KAP PA (B) - (NF-KB) PROFECTUS BIOSCIENCES, INC. (US) 2010-11-04 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 (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-20120046357-A1 Benzamide and Napthamide Derivatives Inhibiting Nuclear Factor-Kappa (B) - (NK-kB) NFKBIA, IKBKB, NFKB1 P2RX1 855/4885TMPRSS4 2798/4885P2RX4 1080/4885

“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.