SCHEMBL14123020

SCHEMBL14123020

CCC[C@H](NC(=O)C1O[C@H]1C(=O)NCC)C(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.41
▸ MC3R P41968 2/20 0.41
▸ MC1R Q01726 2/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ FCER2 P06734 1/20 0.41
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ SMO Q99835 1/20 0.39
▸ MC5R P33032 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ NLN Q9BYT8 1/20 0.38

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
SCHEMBL14123201 1.00 MC4R (0.41) MC4RMC3RMC1RPSMB1PSMB5
SCHEMBL14123434 1.00 MC4R (0.41) MC4RMC3RMC1RPSMB1PSMB5
SCHEMBL14123217 0.92 CAPN1 (0.46) PSMB1PSMB5PSMB2FCER2METAP2
SCHEMBL14123248 0.92 CAPN1 (0.46) PSMB1PSMB5PSMB2FCER2METAP2
SCHEMBL14123030 0.91 SMO (0.41) MC4RMC3RMC1RPSMB1PSMB5
SCHEMBL14123234 0.91 SMO (0.41) MC4RMC3RMC1RPSMB1PSMB5
SCHEMBL8203656 0.88 CAPN1 (0.50) PSMB1PSMB5PSMB2FCER2MMP2
SCHEMBL8196251 0.88 CAPN1 (0.50) PSMB1PSMB5PSMB2FCER2MMP2
SCHEMBL14123387 0.88 CAPN1 (0.50) PSMB1PSMB5PSMB2FCER2MMP2
SCHEMBL8203277 0.88 MMP8 (0.46) MC4RMC3RMC1RPSMB1PSMB5

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 MC4R 4835/4885MC3R 4789/4885MC1R 4593/4885

“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.

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