SCHEMBL14123395

SCHEMBL14123395

CCC[C@H](NC(=O)[C@@H]1O[C@H]1C(=O)NCCc1ccc(O)cc1)C(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 3/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ NPY1R P25929 4/20 0.42
▸ CAPN1 P07384 1/20 0.42
▸ PLG P00747 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ MC4R P32245 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ MC1R Q01726 1/20 0.37
▸ PSMB1 P20618 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ FCER2 P06734 1/20 0.37
▸ OPRD1 P41143 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
SCHEMBL8203277 1.00 MMP8 (0.46) MMP8MMP2MMP9CTSLCTSB
SCHEMBL8203720 1.00 MMP8 (0.46) MMP8MMP2MMP9CTSLCTSB
SCHEMBL14123211 0.93 CTSL (0.42) MMP8MMP2MMP9CTSLCTSB
SCHEMBL14123222 0.89 MMP8 (0.53) MMP8MMP2MMP9CTSLCTSB
SCHEMBL14123434 0.88 MC4R (0.41) MMP8MMP2MMP9NPY1RMC4R
SCHEMBL14123201 0.88 MC4R (0.41) MMP8MMP2MMP9NPY1RMC4R
SCHEMBL14123020 0.88 MC4R (0.41) MMP8MMP2MMP9NPY1RMC4R
SCHEMBL15579588 0.88 HDAC3 (0.46) MMP8CTSLCTSBNPY1RCAPN1
SCHEMBL15579553 0.88 HDAC3 (0.46) MMP8CTSLCTSBNPY1RCAPN1
SCHEMBL14135160 0.87 MMP8 (0.41) MMP8MMP2MMP9CTSLCTSB

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-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 — — US disclosed
US-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-07-24 — — 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-20080176841-A1 EPOXIDE INHIBITORS OF CYSTEINE PROTEASES SERPINB1, EPHX1, EPX MMP8 163/4885MMP2 262/4885MMP9 339/4885

“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.

Send feedback