SCHEMBL21474048

SCHEMBL21474048

CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)c2ccc(Oc3ccccc3)cc2)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.77
RCOR1 Q9UKL0 2/20 0.77
LDHB P07195 3/20 0.38
SSTR5 P35346 4/20 0.38
SSTR2 P30874 2/20 0.38
SSTR4 P31391 2/20 0.38
IDE P14735 1/20 0.38
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
TERF2IP Q9NYB0 2/20 0.37
TEAD4 Q15561 1/20 0.37
TEAD3 Q99594 1/20 0.37
F11 P03951 1/20 0.37
KEAP1 Q14145 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
NPY4R P50391 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL21474049 0.97 KDM1A (0.75) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL17992365 0.92 KDM1A (0.81) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL21335249 0.92 KDM1A (0.81) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL19386979 0.92 KDM1A (0.72) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL19386983 0.92 KDM1A (0.72) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL21335105 0.91 KDM1A (0.77) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL17992389 0.91 KDM1A (0.77) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL19386974 0.91 KDM1A (0.73) KDM1ARCOR1LDHBSSTR5SSTR2
Desfa-[Dab1]Polymyxin B SCHEMBL29354296 0.90 KDM1A (0.86) KDM1ARCOR1LDHBSSTR5SSTR2
SCHEMBL22677609 0.90 KDM1A (0.61) KDM1ARCOR1IDETEAD4TEAD3

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-3556769-B1 POLYMYXIN DERIVATIVE, PREPARATION METHOD AND APPLICATION THEREOF INST MED BIOTECHNOLOGY CAMS (CN) 2023-06-14 EP disclosed
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 1398/4885LDHB 2499/4885

“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.