SCHEMBL17992378

SCHEMBL17992378

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)[C@H]2CC[C@@H](N)CC2)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 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.77
RCOR1 Q9UKL0 2/20 0.77
SSTR5 P35346 8/20 0.41
SSTR2 P30874 6/20 0.40
SSTR4 P31391 6/20 0.40
TEAD4 Q15561 1/20 0.39
TEAD3 Q99594 1/20 0.39
LDHB P07195 2/20 0.38
KEAP1 Q14145 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
TERF2IP Q9NYB0 1/20 0.38

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
SCHEMBL16426321 1.00 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21335304 1.00 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL16426333 1.00 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21335303 0.98 KDM1A (0.76) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17992338 0.96 KDM1A (0.76) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21335250 0.96 KDM1A (0.76) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21335161 0.95 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL16426326 0.95 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17992319 0.95 KDM1A (0.81) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21335248 0.95 KDM1A (0.81) KDM1ARCOR1SSTR5SSTR2SSTR4

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-10407467-B2 Polymyxin derivatives and their use in combination therapy together with different antibiotics NEW PHARMA LICENCE HOLDINGS LIMITED (MT) 2019-09-10 US disclosed
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

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-10407467-B2 Polymyxin derivatives and their use in combination therapy together with different antibiotics MRPS18A, MRPL21, RRP1B KDM1A 3699/4885RCOR1 1566/4885SSTR5 988/4885

“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.