SCHEMBL17882200

SCHEMBL17882200

CCCCCCCC(=O)O[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H](C(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(C)O

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.78
▸ RCOR1 Q9UKL0 2/20 0.78
▸ PSMB5 P28074 10/20 0.40
▸ PSMB2 P49721 6/20 0.40
▸ SSTR5 P35346 4/20 0.40
▸ SSTR2 P30874 2/20 0.40
▸ SSTR4 P31391 2/20 0.40
▸ EGFR P00533 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ LDHB P07195 1/20 0.38

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
SCHEMBL19386890 1.00 KDM1A (0.78) KDM1ARCOR1PSMB5PSMB2SSTR5
Polymyxin B3 SCHEMBL21474115 0.92 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
Polymyxin B4 SCHEMBL21476967 0.92 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
Polymyxin B5 SCHEMBL21258460 0.92 KDM1A (0.91) KDM1ARCOR1PSMB5PSMB2
SCHEMBL17882114 0.92 KDM1A (0.66) KDM1ARCOR1PSMB5PSMB2SSTR5
SCHEMBL17882227 0.91 KDM1A (0.79) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21476960 0.91 KDM1A (0.88) KDM1ARCOR1PSMB5PSMB2
SCHEMBL21474116 0.91 KDM1A (0.88) KDM1ARCOR1PSMB5PSMB2
SCHEMBL21474118 0.91 KDM1A (0.88) KDM1ARCOR1PSMB5PSMB2
SCHEMBL29350600 0.90 KDM1A (0.84) KDM1ARCOR1PSMB5PSMB2SSTR5

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
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 — — US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 — — 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 KDM1A 4119/4885RCOR1 4858/4885PSMB5 179/4885

“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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