SCHEMBL17882220

SCHEMBL17882220

CC(=O)O[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=O)C(C)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.63
▸ RCOR1 Q9UKL0 2/20 0.63
▸ SSTR2 P30874 3/20 0.43
▸ TERF2IP Q9NYB0 4/20 0.36
▸ F11 P03951 1/20 0.36
▸ SSTR5 P35346 3/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ FCGRT P55899 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ BACE1 P56817 2/20 0.35
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ NPY4R P50391 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ REN P00797 1/20 0.34

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
SCHEMBL19386852 1.00 KDM1A (0.63) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL17882201 0.93 KDM1A (0.60) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL19386920 0.93 KDM1A (0.60) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL19386820 0.92 KDM1A (0.66) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL17882079 0.92 KDM1A (0.66) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL25623669 0.92 KDM1A (0.66) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL19386914 0.92 KDM1A (0.66) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL17882034 0.91 KDM1A (0.58) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL17882084 0.91 KDM1A (0.70) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL19386933 0.91 KDM1A (0.65) KDM1ARCOR1SSTR2TERF2IPF11

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.

Send feedback