SCHEMBL21788824

SCHEMBL21788824

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

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.72
▸ RCOR1 Q9UKL0 2/20 0.72
▸ SSTR4 P31391 7/20 0.44
▸ SSTR2 P30874 7/20 0.44
▸ SSTR5 P35346 7/20 0.44
▸ PSMB5 P28074 4/20 0.43
▸ PSMB2 P49721 3/20 0.43
▸ SSTR3 P32745 3/20 0.42
▸ SSTR1 P30872 2/20 0.42
▸ KLK7 P49862 2/20 0.42
▸ TERF2 Q15554 1/20 0.42
▸ KEAP1 Q14145 1/20 0.41

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
SCHEMBL19546033 1.00 KDM1A (0.72) KDM1ARCOR1SSTR4SSTR2SSTR5
SCHEMBL22106116 1.00 KDM1A (0.72) KDM1ARCOR1SSTR4SSTR2SSTR5
SCHEMBL21258418 0.95 KDM1A (0.81) KDM1ARCOR1SSTR4SSTR2SSTR5
SCHEMBL21788721 0.93 KDM1A (0.70) KDM1ARCOR1SSTR4SSTR2SSTR5
SCHEMBL21474067 0.92 KDM1A (0.80) KDM1ARCOR1SSTR4SSTR2SSTR5
SCHEMBL17992361 0.91 KDM1A (0.79) KDM1ARCOR1SSTR4SSTR2SSTR5
SCHEMBL21335124 0.91 KDM1A (0.79) KDM1ARCOR1SSTR4SSTR2SSTR5
SCHEMBL29382536 0.91 KDM1A (0.79) KDM1ARCOR1SSTR4SSTR2SSTR5
SCHEMBL22677516 0.90 KDM1A (0.82) KDM1ARCOR1PSMB5PSMB2
SCHEMBL22677537 0.90 KDM1A (0.82) KDM1ARCOR1PSMB5PSMB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069767-A1 NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2020-03-05 — — 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-20200069767-A1 NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF MAVS, MYD88, CD47 KDM1A 4216/4885RCOR1 3890/4885SSTR4 4787/4885

“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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