SCHEMBL17779072

SCHEMBL17779072

Oc1ncnc2ncc(C(F)(F)F)nc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
CHKA P35790 1/20 0.32
PIK3CG P48736 1/20 0.31

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
SCHEMBL9147366 0.72 ALDH1A1 (0.34) PIK3CG
SCHEMBL29619922 0.71 PIK3CG (0.37) PIK3CG
Potassium SCHEMBL29619911 0.69 PIK3CG (0.36) PIK3CG
SCHEMBL4195175 0.68 ALDH1A1 (0.36) CA2CHKA
SCHEMBL24675335 0.66 TRPV4 (0.33)
SCHEMBL31336794 0.66 GAA (0.36)
SCHEMBL314774 0.63 ADORA2A (0.32)
SCHEMBL28472856 0.63 PIK3CG (0.38) PIK3CG
SCHEMBL24674966 0.62 HCRTR1 (0.36)
SCHEMBL24675607 0.62 TRPV4 (0.31)

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
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
US-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2017-11-09 US disclosed
WO-2016081599-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-05-26 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-20170319516-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER HADHA, HADHB, TFAM CA2 992/4885CHKA 4075/4885PIK3CG 1716/4885

“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.