SCHEMBL6794672

SCHEMBL6794672

CNC(=O)C(Cc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
ACE P12821 1/20 0.43
HTT P42858 1/20 0.43
LDHA P00338 1/20 0.42
MAOB P27338 1/20 0.42
CTBP2 P56545 1/20 0.42
CYP2A6 P11509 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
TPH1 P17752 1/20 0.40
GSK3B P49841 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3103660 0.85 LDHA (0.52) SAE1UBA2LOXL2HTTLDHA
SCHEMBL9258141 0.81 SAE1 (0.50) SAE1UBA2LOXL2CYP2A6TPH1
SCHEMBL9258148 0.81 SAE1 (0.50) SAE1UBA2LOXL2CYP2A6TPH1
SCHEMBL18930735 0.81 SAE1 (0.50) SAE1UBA2LOXL2CYP2A6TPH1
SCHEMBL13886467 0.81 PPARG (0.53) SAE1UBA2LOXL2HTTLDHA
SCHEMBL19544842 0.81 SAE1 (0.50) SAE1UBA2LOXL2ACEHTT
SCHEMBL19521215 0.81 MMP9 (0.47) SAE1UBA2LOXL2MMP2MMP3
SCHEMBL19521217 0.81 MMP9 (0.47) SAE1UBA2LOXL2MMP2MMP3
SCHEMBL6440952 0.80 MMP8 (0.61)
SCHEMBL6440945 0.80 MMP8 (0.61)

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-20040014676-A1 SRC kinase inhibitors useful for treating osteoporosis ARIAD PHARMACEUTICALS INC. 2004-01-22 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-20040014676-A1 SRC kinase inhibitors useful for treating osteoporosis SRC, CTTN, YES1 SAE1 1971/4885UBA2 2352/4885LOXL2 1358/4885

“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.