SCHEMBL19982014

SCHEMBL19982014

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](N)CCN)[C@@H](C)O)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.83
▸ RCOR1 Q9UKL0 2/20 0.83
▸ SSTR5 P35346 6/20 0.44
▸ SSTR2 P30874 4/20 0.44
▸ SSTR4 P31391 4/20 0.44
▸ TEAD4 Q15561 1/20 0.42
▸ TEAD3 Q99594 1/20 0.42
▸ TERF2 Q15554 4/20 0.41
▸ EGFR P00533 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ LDHB P07195 1/20 0.40
▸ F11 P03951 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
SCHEMBL29692248 1.00 KDM1A (0.83) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17655767 0.95 KDM1A (0.81) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17655763 0.95 KDM1A (0.81) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL16426329 0.95 KDM1A (0.81) KDM1ARCOR1SSTR5SSTR2SSTR4
Desfa-[Dab1]Polymyxin B SCHEMBL29354296 0.94 KDM1A (0.86) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21258440 0.94 KDM1A (0.82) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21504107 0.93 KDM1A (0.77) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL21335169 0.93 KDM1A (0.79) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL17992329 0.93 KDM1A (0.79) KDM1ARCOR1SSTR5SSTR2SSTR4
SCHEMBL24564765 0.93 KDM1A (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014966-B2 Compounds and therapeutics uses thereof CENTUARI THERAPEUTICS LIMITED (GB) 2021-05-25 — — US disclosed
US-20190248838-A1 NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2019-08-15 — — US disclosed
WO-2018051085-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2018-03-22 — — 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-20190248838-A1 NOVEL COMPOUNDS AND THERAPEUTICS USES THEREOF MAVS, MYD88, CD47 KDM1A 4216/4885RCOR1 3890/4885SSTR5 4825/4885
US-11014966-B2 Compounds and therapeutics uses thereof MYD88, MAVS, CD47 KDM1A 4104/4885RCOR1 4159/4885SSTR5 4808/4885

“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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