SCHEMBL21476988

SCHEMBL21476988

CCCCCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CO)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](CC(C)C)NC(=O)[C@H](CCN)NC1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.77
RCOR1 Q9UKL0 2/20 0.70
NMT2 O60551 3/20 0.40
NMT1 P30419 3/20 0.40
NOD1 Q9Y239 1/20 0.40
LDHB P07195 2/20 0.40
PSMB5 P28074 4/20 0.39
PSMB2 P49721 2/20 0.39
KEAP1 Q14145 1/20 0.38
SSTR1 P30872 2/20 0.37
SSTR2 P30874 2/20 0.37
SSTR4 P31391 2/20 0.37
SSTR3 P32745 2/20 0.37
SSTR5 P35346 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL21476959 0.99 KDM1A (0.76) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21474135 0.99 KDM1A (0.76) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21473998 0.99 KDM1A (0.76) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21476972 0.99 KDM1A (0.75) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21474065 0.97 KDM1A (0.73) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21476981 0.96 KDM1A (0.83) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21476990 0.96 KDM1A (0.83) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21476979 0.96 KDM1A (0.75) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21476986 0.95 KDM1A (0.83) KDM1ARCOR1NMT2NMT1NOD1
SCHEMBL21504308 0.95 KDM1A (0.83) KDM1ARCOR1NMT2NMT1NOD1

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
EP-3556769-A1 POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2019-10-23 EP disclosed
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 1398/4885NMT2 699/4885

“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.