SCHEMBL21335313

SCHEMBL21335313

CCC(=O)[C@H](CN)NC(=O)[C@@H](NC(=O)C(O)C1CCCCC1)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ MMP2 P08253 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ METAP2 P50579 2/20 0.31
▸ METAP1 P53582 1/20 0.31
▸ DDOST P39656 1/20 0.31

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
SCHEMBL18637667 0.90 TP53 (0.33) TP53EPHX1KDM4EGMNNLMNA
SCHEMBL19825855 0.90 TP53 (0.33) TP53EPHX1KDM4EGMNNLMNA
SCHEMBL21335133 0.88 CPB2 (0.37) CPB2CA12CA1CA2MMP2
SCHEMBL26675669 0.87 CPB2 (0.34) TP53EPHX1KDM4EGMNNLMNA
SCHEMBL21335315 0.87 TP53 (0.36) TP53EPHX1KDM4EGMNNLMNA
SCHEMBL21335134 0.87 TP53 (0.36) TP53EPHX1KDM4EGMNNLMNA
SCHEMBL17992306 0.87 TP53 (0.36) TP53EPHX1KDM4EGMNNLMNA
SCHEMBL23658181 0.85 ALDH1A1 (0.43) TP53EPHX1KDM4EGMNNLMNA
SCHEMBL19825794 0.85 ALDH1A1 (0.43) TP53EPHX1KDM4EGMNNLMNA
SCHEMBL19825791 0.85 CPB2 (0.32) TP53EPHX1KDM4EGMNNLMNA

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-10407467-B2 Polymyxin derivatives and their use in combination therapy together with different antibiotics NEW PHARMA LICENCE HOLDINGS LIMITED (MT) 2019-09-10 — — 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-10407467-B2 Polymyxin derivatives and their use in combination therapy together with different antibiotics MRPS18A, MRPL21, RRP1B TP53 4392/4885EPHX1 3840/4885KDM4E 4251/4885

“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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