SCHEMBL14754339

SCHEMBL14754339

CCN(CC)c1ccc(/C(N)=C(\F)S)cc1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.35
RORC P51449 1/20 0.34
CYP3A4 P08684 3/20 0.32
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TYMS P04818 1/20 0.31
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
PRSS1 P07477 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
SCHEMBL10151083 0.87 HCAR3 (0.34) HCAR3RORCCYP3A4ALDH1A1KDM4E
SCHEMBL15075881 0.79 HCAR3 (0.32) HCAR3TYMS
SCHEMBL19130780 0.74 HCAR3 (0.59) HCAR3ALDH1A1GAAMAPTHTT
SCHEMBL9984014 0.70 CYP3A4 (0.47) CYP3A4LATS1LATS2ALDH1A1GAA
SCHEMBL9408668 0.70 CYP3A4 (0.38) HCAR3CYP3A4LATS1LATS2ALDH1A1
SCHEMBL5716046 0.69 CYP3A4 (0.46) CYP3A4LATS1LATS2ALDH1A1KDM4E
SCHEMBL18509336 0.68 CYP3A4 (0.38) CYP3A4LATS1LATS2ALDH1A1MAPT
SCHEMBL23555163 0.66 CCR5 (0.39) CYP3A4ALDH1A1GAA
SCHEMBL6832796 0.66 ALDH1A1 (0.44) CYP3A4ALDH1A1KDM4EGAAMAPT
SCHEMBL18175188 0.65 CYP3A4 (0.37) CYP3A4LATS1LATS2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 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-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 HCAR3 332/4885RORC 1150/4885CYP3A4 2805/4885

“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.