SCHEMBL17882154

SCHEMBL17882154

CCC(C)C(=O)OC(C)(C)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(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)C(C)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.66
RCOR1 Q9UKL0 2/20 0.66
TERF2IP Q9NYB0 3/20 0.37
LDHB P07195 3/20 0.36
SSTR2 P30874 3/20 0.34
KRAS P01116 4/20 0.34
SSTR4 P31391 2/20 0.34
SSTR5 P35346 2/20 0.34
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
TERF2 Q15554 1/20 0.33

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
SCHEMBL17860821 0.93 KDM1A (0.77) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL19386929 0.92 KDM1A (0.55) KDM1ARCOR1TERF2IPLDHBTERF2
SCHEMBL17882199 0.91 KDM1A (0.55) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL19386931 0.90 KDM1A (0.55) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL19386829 0.88 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL17882037 0.88 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL17882134 0.88 KDM1A (0.76) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL19386898 0.86 KDM1A (0.75) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL19386893 0.86 KDM1A (0.68) KDM1ARCOR1TERF2IPLDHBSSTR2
SCHEMBL17882206 0.86 KDM1A (0.69) KDM1ARCOR1TERF2IPLDHBSSTR2

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 4858/4885TERF2IP 4476/4885

“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.