SCHEMBL3054261

SCHEMBL3054261

CCOc1cc(O)c2scc(C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ PDE5A O76074 1/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK8 P45983 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL13409400 0.81 ELANE (0.35) MAPTRAB9APDE5AMAPK1HSD17B10
SCHEMBL8135270 0.81 PDE5A (0.36) MAPTRAB9APDE5AMAPK1HSD17B10
SCHEMBL25393220 0.77 HTT (0.40) MAPTMAPK1ALDH1A1PDPK1NPC1
SCHEMBL2973054 0.71 ADORA2A (0.41) MAPTPDE5AHSD17B10ALDH1A1MAPK8
SCHEMBL15483504 0.70 KMT2A (0.36) MAPTRAB9AMAPK1HSD17B10ALDH1A1
SCHEMBL8277736 0.70 KDM4E (0.48) MAPTRAB9AMAPK1HSD17B10ALDH1A1
SCHEMBL8273088 0.68 MAPT (0.36) MAPTRAB9APDE5AALDH1A1PDPK1
SCHEMBL13409404 0.67 MAPT (0.35) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1330351 0.66 PDPK1 (0.44) MAPTRAB9AMAPK1ALDH1A1PDPK1
SCHEMBL8274174 0.66 ALDH1A1 (0.35) MAPTRAB9AALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749961-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 — — US disclosed
US-7749961-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 — — US disclosed
US-7749961-B2 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 — — US disclosed
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 — — US disclosed
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 — — US disclosed
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 — — US disclosed
EP-1730167-A4 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INT (DE) 2008-04-09 — — EP disclosed
EP-1730167-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS Boehringer Ingelheim International GmbH (DE) 2006-12-13 — — EP disclosed
US-20050192212-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-01 — — US disclosed
WO-2005070955-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 — — WO disclosed
WO-2005070955-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-04 — — 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-20050192212-A1 Macrocyclic peptides active against the hepatitis C virus CTRL, RNPEP, RNASE1 MAPT 4135/4885RAB9A 2101/4885PDE5A 3814/4885
US-20090264346-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS CTRL, RNPEP, RNASE1 MAPT 4135/4885RAB9A 2101/4885PDE5A 3814/4885

“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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