SCHEMBL17882129

SCHEMBL17882129

CCCC(C)(C)OC(=O)CCC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCNC(=O)[C@H](C(C)O)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCNC(=O)OC(C)(C)C)NC1)C(C)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.56
RCOR1 Q9UKL0 2/20 0.56
SSTR2 P30874 2/20 0.39
TERF2IP Q9NYB0 2/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
FCGRT P55899 2/20 0.33
F11 P03951 1/20 0.33
TERF2 Q15554 1/20 0.32
KRAS P01116 4/20 0.32
HSP90AB1 P08238 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL19386828 0.99 KDM1A (0.56) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL17882209 0.93 KDM1A (0.56) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL17882204 0.92 KDM1A (0.57) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL17882035 0.92 KDM1A (0.60) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL19386897 0.92 KDM1A (0.60) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL19386833 0.91 KDM1A (0.60) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL17882087 0.91 KDM1A (0.60) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL17882074 0.91 KDM1A (0.55) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL17882071 0.91 KDM1A (0.56) KDM1ARCOR1SSTR2TERF2IPKEAP1
SCHEMBL17882081 0.91 KDM1A (0.54) KDM1ARCOR1SSTR2TERF2IPKEAP1

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 4858/4885SSTR2 3935/4885

“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.