SCHEMBL14971405

SCHEMBL14971405

CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)CC(N)C2CCCCC2)C(C)O)CCNC(=O)[C@H](C(C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.76
RCOR1 Q9UKL0 2/20 0.76
TERF2 Q15554 5/20 0.44
SSTR5 P35346 4/20 0.42
SSTR2 P30874 2/20 0.42
SSTR4 P31391 2/20 0.42
TEAD4 Q15561 1/20 0.40
TEAD3 Q99594 1/20 0.40
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
TERF2IP Q9NYB0 2/20 0.39
KEAP1 Q14145 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NPY4R P50391 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL21335300 1.00 KDM1A (0.76) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL22106077 1.00 KDM1A (0.76) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL21335299 0.98 KDM1A (0.76) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL17992390 0.98 KDM1A (0.80) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL17992333 0.96 KDM1A (0.70) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL17992325 0.95 KDM1A (0.69) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL21335208 0.95 KDM1A (0.69) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL17992357 0.94 KDM1A (0.70) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL21335115 0.94 KDM1A (0.70) KDM1ARCOR1TERF2SSTR5SSTR2
SCHEMBL17992334 0.93 KDM1A (0.69) KDM1ARCOR1TERF2SSTR5SSTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222061-A1 Polymyxin Derivatives and Their Use in Combination Therapy Together with Different Antibiotics NEW PHARMA LICENCE HOLDINGS LIMITED (MT) 2016-08-04 US disclosed
US-9234006-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2016-01-12 US disclosed
US-20150031602-A1 Compounds CANTAB ANTI-INFECTIVES LIMITED (UK) 2015-01-29 US disclosed
WO-2013072695-A1 POLYMYXIN DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-23 WO 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 (2 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-20160222061-A1 Polymyxin Derivatives and Their Use in Combination Therapy Together with Different Antibiotics MRPS18A, MRPL21, RRP1B KDM1A 3699/4885RCOR1 1566/4885TERF2 2676/4885
US-20150031602-A1 Compounds NRDC, TLR6, TLR7 KDM1A 4068/4885RCOR1 1286/4885TERF2 4560/4885

“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.