SCHEMBL21474047

SCHEMBL21474047

CCCCCCCC(=O)CC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.85
▸ RCOR1 Q9UKL0 2/20 0.85
▸ PSMB5 P28074 10/20 0.42
▸ PSMB2 P49721 7/20 0.42
▸ SLC40A1 Q9NP59 2/20 0.42
▸ LDHB P07195 1/20 0.41
▸ TERF2IP Q9NYB0 2/20 0.41
▸ EGFR P00533 1/20 0.40
▸ LCK P06239 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
SCHEMBL21473992 1.00 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21473990 0.99 KDM1A (0.86) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21473991 0.98 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21504353 0.98 KDM1A (0.85) KDM1ARCOR1PSMB5PSMB2SLC40A1
Polymyxin B5 SCHEMBL21258460 0.97 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2SLC40A1
Polymyxin B4 SCHEMBL21476967 0.97 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2SLC40A1
Polymyxin B3 SCHEMBL21474115 0.97 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21474044 0.95 KDM1A (0.85) KDM1ARCOR1LDHBTERF2IPEGFR
SCHEMBL21474118 0.95 KDM1A (0.88) KDM1ARCOR1PSMB5PSMB2SLC40A1
SCHEMBL21476960 0.95 KDM1A (0.88) KDM1ARCOR1PSMB5PSMB2SLC40A1

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-20190315806-A1 POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CAMS (CN) 2019-10-17 — — 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-20190315806-A1 POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF NPEPPS, MYD88, MRPL21 KDM1A 2143/4885RCOR1 1398/4885PSMB5 292/4885

“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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