SCHEMBL10211151

SCHEMBL10211151

COC(=O)C1(C)CCC(C)(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)nc3c(F)cnn23)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.45
ADAMTS4 O75173 1/20 0.45
MMP3 P08254 1/20 0.45
MAPK1 P28482 16/20 0.40
RPS6KA1 Q15418 1/20 0.40
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL10210052 0.90 MMP13 (0.43) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8255826 0.88 MAPK1 (0.39) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL13594054 0.88 MMP13 (0.47) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8246532 0.88 MMP13 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10210402 0.88 MAPK1 (0.39) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10209194 0.87 HPGD (0.42) MMP13ADAMTS4MMP3MAPK1
SCHEMBL10208162 0.87 ADAMTS4 (0.39) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL13185514 0.87 MMP13 (0.44) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL8253618 0.84 MMP13 (0.47) MMP13ADAMTS4MMP3MAPK1RPS6KA1
SCHEMBL10162167 0.84 MMP13 (0.45) MMP13ADAMTS4MMP3MAPK1RPS6KA1

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 MMP13 1/4885ADAMTS4 38/4885MMP3 3/4885

“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.