SCHEMBL27097608

SCHEMBL27097608

CC(C)C(C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@@H](C)CCCNC(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ FAP Q12884 1/20 0.34
▸ SIRT2 Q8IXJ6 6/20 0.33
▸ SIRT1 Q96EB6 5/20 0.33
▸ SIRT3 Q9NTG7 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TPSAB1 Q15661 3/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ PLG P00747 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
SCHEMBL27097612 0.91 HTT (0.38) HTTHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL23683255 0.83 HTT (0.39) HTTSMN1; SMN2FAP
SCHEMBL22871647 0.82 FAP (0.38) HTTSMN1; SMN2FAPSIRT2SIRT1
SCHEMBL22238223 0.82 LTA4H (0.41) HTT
SCHEMBL22841414 0.81 LTA4H (0.37) HTTSMN1; SMN2FAP
SCHEMBL25564557 0.81 FAP (0.38) HTTSMN1; SMN2FAPSIRT2SIRT1
SCHEMBL21875528 0.81 HSD17B10 (0.46) HSD17B10
SCHEMBL20375584 0.81 SIRT2 (0.37) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL20375515 0.81 SIRT2 (0.39) FAPSIRT2SIRT1SIRT3SIRT5
SCHEMBL17706450 0.80 SIRT2 (0.41) FAPSIRT2SIRT1SIRT3SIRT5

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-11912792-B2 Bicyclic peptide ligands specific for nectin-4 BICYCLETX LIMITED (GB) 2024-02-27 — — US disclosed
US-11912792-B2 Bicyclic peptide ligands specific for nectin-4 BICYCLETX LIMITED (GB) 2024-02-27 — — 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-11912792-B2 Bicyclic peptide ligands specific for nectin-4 NECTIN4, VCAM1, SIGLEC7 HTT 1476/4885HSD17B10 3873/4885SMN1; SMN2 2834/4885

“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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