SCHEMBL18875928

SCHEMBL18875928

N[C@@H](Cc1ccccc1)C(=O)NCCCNCCCNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.55
▸ ALPI P09923 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ XIAP P98170 1/20 0.54
▸ SLC7A5 Q01650 1/20 0.54
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ LTA4H P09960 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.52
▸ SLC15A1 P46059 1/20 0.51

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
SCHEMBL9113781 0.95 ALPI (0.59) MMP2ALPIPKMPTGS1XIAP
SCHEMBL14359605 0.93 CHRNB2 (0.63) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12085491 0.93 CHRNB2 (0.63) MMP2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11254327 0.92 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL18375234 0.92 ALPI (0.59) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL17337848 0.91 ALPI (0.54) MMP2ALPIPKMPTGS1XIAP
SCHEMBL16559587 0.90 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL2927527 0.90 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL21010316 0.89 SLC15A1 (0.64) MMP2ALPIPKMPTGS1XIAP
SCHEMBL13496530 0.88 ALPI (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144969-A1 ANTIMICROBIAL CONJUGATES, METHOD FOR PRODUCTION AND USES THEREOF THE SECRETARY OF STATE FOR HEALTH (GB) 2017-05-25 — — 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-20170144969-A1 ANTIMICROBIAL CONJUGATES, METHOD FOR PRODUCTION AND USES THEREOF SRM, SMS, SMOX MMP2 1172/4885ALPI 1656/4885PKM 713/4885

“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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