SCHEMBL16426311

SCHEMBL16426311

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)CCCN)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 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.89
▸ RCOR1 Q9UKL0 2/20 0.89
▸ SSTR5 P35346 7/20 0.43
▸ SSTR4 P31391 6/20 0.43
▸ SSTR2 P30874 5/20 0.43
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ TERF2 Q15554 1/20 0.40
▸ TERF2IP Q9NYB0 2/20 0.40
▸ LDHB P07195 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40

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
SCHEMBL21335212 1.00 KDM1A (0.89) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL21335213 0.99 KDM1A (0.87) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL22105878 0.99 KDM1A (0.87) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL21335214 0.98 KDM1A (0.91) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL16426298 0.98 KDM1A (0.91) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL16426297 0.98 KDM1A (0.88) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL21335145 0.98 KDM1A (0.88) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL21335093 0.97 KDM1A (0.90) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL21335230 0.97 KDM1A (0.90) KDM1ARCOR1SSTR5SSTR4SSTR2
SCHEMBL21335094 0.97 KDM1A (0.90) KDM1ARCOR1SSTR5SSTR4SSTR2

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 3 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

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 1566/4885SSTR5 988/4885
US-20150031602-A1 Compounds NRDC, TLR6, TLR7 KDM1A 4068/4885RCOR1 1286/4885SSTR5 549/4885

“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.

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