SCHEMBL14963151

SCHEMBL14963151

NC(=O)CNC(=O)C(N)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALPI P09923 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ XIAP P98170 1/20 0.58
▸ SLC7A5 Q01650 1/20 0.58
▸ SLC15A1 P46059 1/20 0.54
▸ MMP2 P08253 2/20 0.54
▸ CTSC P53634 1/20 0.54
▸ LTA4H P09960 1/20 0.51
▸ MME P08473 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ACE P12821 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL8788898 1.00 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8789703 1.00 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26605058 0.94 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26605063 0.94 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL404848 0.93 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
Benzene SCHEMBL11575909 0.89 SLC7A5 (0.58) SLC7A5MMP2
Benzene SCHEMBL11575906 0.89 SLC7A5 (0.58) SLC7A5MMP2
SCHEMBL1329815 0.88 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6047673 0.88 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1329817 0.88 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3130608-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE Daiichi Sankyo Co., Ltd. (JP) 2017-02-15 — — EP disclosed
US-8981049-B2 Aziridine mediated native chemical ligation WASHINGTON STATE UNIVERSITY (US) 2015-03-17 — — US disclosed
US-20130131311-A1 AZIRIDINE MEDIATED NATIVE CHEMICAL LIGATION WASHINGTON STATE UNIVERSITY (US) 2013-05-23 — — 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-20130131311-A1 AZIRIDINE MEDIATED NATIVE CHEMICAL LIGATION PTMS, NGLY1, DNPEP ALPI 1716/4885PKM 4344/4885PTGS1 364/4885

“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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