SCHEMBL14123248

SCHEMBL14123248

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 7/20 0.46
▸ FCER2 P06734 1/20 0.45
▸ CTSB P07858 2/20 0.43
▸ CAPN9 O14815 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PSMB1 P20618 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ PSMB2 P49721 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ SMO Q99835 1/20 0.41
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ LCK P06239 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
▸ CTSL P07711 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
SCHEMBL14123217 1.00 CAPN1 (0.46) CAPN1FCER2CTSBCAPN9MAPK1
SCHEMBL14123020 0.92 MC4R (0.41) FCER2PSMB1PSMB5PSMB2MMP2
SCHEMBL14123434 0.92 MC4R (0.41) FCER2PSMB1PSMB5PSMB2MMP2
SCHEMBL14123201 0.92 MC4R (0.41) FCER2PSMB1PSMB5PSMB2MMP2
SCHEMBL14123030 0.91 SMO (0.41) FCER2CTSBPSMB1PSMB5PSMB2
SCHEMBL14123234 0.91 SMO (0.41) FCER2CTSBPSMB1PSMB5PSMB2
SCHEMBL14123387 0.88 CAPN1 (0.50) CAPN1FCER2CTSBPSMB1PSMB5
SCHEMBL8196251 0.88 CAPN1 (0.50) CAPN1FCER2CTSBPSMB1PSMB5
SCHEMBL8203656 0.88 CAPN1 (0.50) CAPN1FCER2CTSBPSMB1PSMB5
SCHEMBL14123211 0.88 CTSL (0.42) FCER2CTSBPSMB1PSMB5PSMB2

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 CAPN1 199/4885FCER2 1311/4885CTSB 74/4885

“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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