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SCHEMBL17882117

SCHEMBL17882117

CCCCOC(=O)C(C)CC(=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=O)C(C)O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.65
▸ RCOR1 Q9UKL0 2/20 0.65
▸ SSTR2 P30874 3/20 0.43
▸ TERF2IP Q9NYB0 5/20 0.38
▸ TERF2 Q15554 1/20 0.37
▸ F11 P03951 1/20 0.36
▸ FCGRT P55899 1/20 0.35
▸ PSMB5 P28074 2/20 0.35
▸ LDHB P07195 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HLA-DRB1 P01911 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
SCHEMBL19386819 1.00 KDM1A (0.65) KDM1ARCOR1SSTR2TERF2IPTERF2
SCHEMBL19386841 0.94 KDM1A (0.67) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL17882110 0.94 KDM1A (0.67) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL19386917 0.94 KDM1A (0.63) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL17882072 0.94 KDM1A (0.63) KDM1ARCOR1SSTR2TERF2IPF11
SCHEMBL17882118 0.93 KDM1A (0.64) KDM1ARCOR1SSTR2TERF2IPTERF2
SCHEMBL26181682 0.93 KDM1A (0.72) KDM1ARCOR1SSTR2TERF2IPPSMB5
SCHEMBL17882120 0.92 KDM1A (0.64) KDM1ARCOR1SSTR2TERF2IPTERF2
SCHEMBL19386922 0.92 KDM1A (0.64) KDM1ARCOR1SSTR2TERF2IPTERF2
SCHEMBL19386834 0.92 KDM1A (0.63) 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.