SCHEMBL13409400

SCHEMBL13409400

CCOc1cc(C(C)C)c2scc(C)c2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ PRKCI P41743 4/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ MAPK1 P28482 4/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13409404 0.85 MAPT (0.35) MAPTPRKCIKDM4EALDH1A1
SCHEMBL13409412 0.84 PRKCI (0.32) MAPTPRKCIPDPK1NPC1PKM
SCHEMBL3054261 0.81 MAPT (0.37) MAPTRAB9APDE5APDPK1NPC1
SCHEMBL13409401 0.80 ELANE (0.34) ELANEMAPTALDH1A1
SCHEMBL8135270 0.79 PDE5A (0.36) MAPTRAB9APDE5APRKCIPDPK1
SCHEMBL13409407 0.79 ELANE (0.33) ELANEKDM4EALDH1A1
SCHEMBL13409397 0.77 MAPK1 (0.35) ELANEMAPTRAB9ANPC1MAPK1
SCHEMBL13409402 0.72 ADORA2A (0.40) ELANEPDE5APDE4BPDE7A
SCHEMBL13409388 0.71 L3MBTL1 (0.45) ELANEMAPTRAB9APDPK1NPC1
SCHEMBL8274174 0.70 ALDH1A1 (0.35) MAPTRAB9AKDM4EPOLBALDH1A1

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-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 — — 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-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs HAVCR2, ZC3HAV1, CTSC ELANE 357/4885MAPT 4835/4885RAB9A 2573/4885

“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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