SCHEMBL14308577

SCHEMBL14308577

Cc1cc(CNC(=O)c2cc(S)ncn2)ccc1F

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 14/20 0.83
MMP10 P09238 5/20 0.68
MMP8 P22894 5/20 0.68
MMP9 P14780 1/20 0.68
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL29838134 0.91 MMP13 (1.00) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8358823 0.91 MMP13 (1.00) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL4716566 0.89 MMP13 (0.90) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8360162 0.88 MMP13 (0.88) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL12272887 0.88 MMP13 (0.92) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL14284143 0.86 MMP13 (0.90) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL8357428 0.86 MMP13 (0.90) MMP13MMP10MMP8MMP9L3MBTL1
SCHEMBL5615671 0.86 MMP13 (0.84) MMP13MMP10MMP8MMP9HCRTR1
SCHEMBL15647278 0.86 MMP13 (0.86) MMP13MMP10MMP8MMP9
SCHEMBL14284169 0.85 MMP13 (0.83) MMP13MMP10MMP8MMP9HCRTR1

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-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 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-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 MMP13 11/4885MMP10 8/4885MMP8 12/4885

“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.