SCHEMBL19138342

SCHEMBL19138342

C[C@@H](O)[C@H](NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 7/20 0.58
▸ ACE P12821 2/20 0.57
▸ MMP9 P14780 3/20 0.57
▸ MMP8 P22894 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ APAF1 O14727 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MMP1 P03956 2/20 0.54
▸ MMP3 P08254 1/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ ITGB2 P05107 1/20 0.53
▸ ICAM1 P05362 1/20 0.53
▸ ITGAL P20701 1/20 0.53
▸ CTSL P07711 1/20 0.53
▸ MMP2 P08253 2/20 0.52

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
SCHEMBL19138339 1.00 ECE1 (0.58) ECE1ACEMMP9MMP8KDM4E
SCHEMBL23128341 0.87 KDM4E (0.60) ECE1ACEMMP9MMP8KDM4E
SCHEMBL17469419 0.86 CTSL (0.66) ACEMAPTCTSL
SCHEMBL17469322 0.86 KDM4E (0.58) ECE1ACEKDM4EAPAF1POLB
SCHEMBL19138365 0.86 KDM4E (0.58) ECE1ACEKDM4EAPAF1POLB
SCHEMBL9113857 0.84 ECE1 (0.57) ECE1ACEMMP9MMP8MMP1
SCHEMBL6715572 0.84 ECE1 (0.66) ECE1ACEKDM4EAPAF1POLB
SCHEMBL30567428 0.83 ACE (0.61) ECE1ACEMMP9MMP8KDM4E
SCHEMBL30834730 0.83 ACE (0.58) ECE1ACEMMP9MMP8KDM4E
SCHEMBL17459473 0.83 CAPN1 (0.67) —

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-9994614-B2 N-methyl-D-aspartate receptor modulators and methods of making and using same NAUREX, INC. (US) 2018-06-12 — — US disclosed
US-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2017-07-27 — — 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-20170210779-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME GRIN1, GRIN2A, GRIN3A ECE1 2844/4885ACE 1449/4885MMP9 3616/4885

“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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