SCHEMBL22692385

SCHEMBL22692385

CCCCCCCC(C)NC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)C(CC)CCCCC)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ FURIN P09958 3/20 0.35
▸ PLA2G2A P14555 1/20 0.34
▸ PLA2G5 P39877 1/20 0.34
▸ BIRC2 Q13490 3/20 0.34
▸ NOD1 Q9Y239 2/20 0.34
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ TLR2 O60603 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ MMP2 P08253 4/20 0.33
▸ MMP3 P08254 4/20 0.33
▸ MMP1 P03956 2/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL21152822 0.85 SIRT6 (0.44) SIRT6SIRT1SMN1; SMN2FURINBIRC2
SCHEMBL21914973 0.83 SMN1; SMN2 (0.33) SIRT6SIRT1SMN1; SMN2FURINNOD1
SCHEMBL23106115 0.82 SMN1; SMN2 (0.33) SIRT6SIRT1SMN1; SMN2FURIN
SCHEMBL20385879 0.80 SMN1; SMN2 (0.39) SIRT6SIRT1SMN1; SMN2FURINBIRC2
SCHEMBL21915906 0.77 SIRT6 (0.36) SIRT6SIRT1SMN1; SMN2FURINBIRC2
SCHEMBL24703694 0.77 SMN1; SMN2 (0.32) SIRT6SIRT1SMN1; SMN2FURIN
SCHEMBL25070732 0.76 SIRT6 (0.41) SIRT6SIRT1SMN1; SMN2FURINNOD1
SCHEMBL21915070 0.76 SIRT6 (0.41) SIRT6SIRT1SMN1; SMN2FURINNOD1
SCHEMBL22702596 0.76 CTSL (0.47) SIRT6SIRT1FURINNOD1TLR2
SCHEMBL24173258 0.76 C3AR1 (0.34) SIRT6SIRT1SMN1; SMN2FURIN

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-10844090-B2 Hemiasterlin derivatives for conjugation and therapy SUTRO BIOPHARMA, INC. (US) 2020-11-24 — — 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-10844090-B2 Hemiasterlin derivatives for conjugation and therapy CYP17A1, HSD17B7, SHBG SIRT6 2884/4885SIRT1 2724/4885SMN1; SMN2 2005/4885

“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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