SCHEMBL3460296

SCHEMBL3460296

CNC(=O)[C@H](CCCCN)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
MMP2 P08253 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
TRPV4 Q9HBA0 1/20 0.45
TP53 P04637 2/20 0.43
MPO P05164 1/20 0.43
SYK P43405 1/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42

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
SCHEMBL3460784 0.86 TP53 (0.50) CA12CA1MMP2CYP1A2CYP3A4
SCHEMBL3460295 0.85 SMN1; SMN2 (0.52) CYP1A2CYP3A4CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL3459274 0.84 TRPV4 (0.44) CA12CA1MMP2CYP1A2CYP3A4
SCHEMBL964299 0.84 CA12 (0.49) CA12CA1MMP2CYP1A2CYP3A4
SCHEMBL968954 0.81 MGLL (0.48) ALDH1A1MEN1KMT2ATRPV4MAPT
SCHEMBL3460782 0.77 TP53 (0.53) CYP1A2CYP3A4CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL5037608 0.76 GAA (0.50) CA12CA1MMP2CYP1A2CYP3A4
SCHEMBL4889227 0.76 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ATRPV4
SCHEMBL4889214 0.76 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ATRPV4
SCHEMBL967255 0.75 SMN1; SMN2 (0.57) CA12CA1MMP2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 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-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR CA12 4393/4885CA1 4267/4885MMP2 511/4885

“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.