SCHEMBL10165656

SCHEMBL10165656

CC(=O)c1cc(C(=O)NCc2ccc(F)c(OC(F)(F)F)c2)nc2ncnn12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.45
MBOAT4 Q96T53 7/20 0.42
MMP13 P45452 3/20 0.42
ENPP2 Q13822 1/20 0.40
KCNN4 O15554 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP3 P08254 1/20 0.39
PDE2A O00408 2/20 0.37
P2RX7 Q99572 1/20 0.37
SCN3A Q9NY46 1/20 0.37

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
SCHEMBL8253150 0.92 MBOAT4 (0.47) RIPK1MBOAT4MMP13ENPP2KCNN4
SCHEMBL8253129 0.92 RIPK1 (0.42) RIPK1MBOAT4MMP13ENPP2KCNN4
SCHEMBL10162258 0.85 RIPK1 (0.39) RIPK1MBOAT4MMP13ENPP2KCNN4
SCHEMBL10165518 0.85 MMP13 (0.60) MMP13ADAMTS4MMP3
SCHEMBL10165604 0.84 MMP13 (0.46) MMP13PDE2A
SCHEMBL10161793 0.82 MMP13 (0.60) RIPK1MBOAT4MMP13ENPP2ADAMTS4
SCHEMBL10166190 0.82 SMN1; SMN2 (0.46) MMP13
SCHEMBL8255707 0.80 MMP13 (0.47) RIPK1MBOAT4MMP13KCNN4SCN5A
SCHEMBL8255825 0.79 MMP13 (0.67) RIPK1MBOAT4MMP13KCNN4ADAMTS4
SCHEMBL8256464 0.79 MMP13 (0.60) RIPK1MBOAT4MMP13SCN9AADAMTS4

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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 RIPK1 3619/4885MBOAT4 2357/4885MMP13 1/4885

“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.