SCHEMBL10196086

SCHEMBL10196086

COc1cc(C)ccc1OC1CCS(=O)(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
PDE4B Q07343 4/20 0.44
SYK P43405 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNG1 Q06432 1/20 0.40
CACNB2 Q08289 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
SCHEMBL15280209 0.85 ACHE (0.63) ACHEPDE4BSYKNPC1RAB9A
SCHEMBL2907378 0.82 ACHE (0.59) ACHEPDE4BSYKNPC1RAB9A
SCHEMBL16440160 0.82 ACHE (0.59) ACHEPDE4BSYKNPC1RAB9A
SCHEMBL10196687 0.81 ACHE (0.57) ACHEPDE4BSYKNPC1RAB9A
SCHEMBL10196595 0.80 ACHE (0.52) ACHESYKPOLB
SCHEMBL10196348 0.80 ACHE (0.55) ACHEPDE4BSYKNPC1RAB9A
SCHEMBL23410206 0.78 ACHE (0.53) ACHEPDE4BSYK
SCHEMBL10196382 0.78 SYK (0.67) ACHEPDE4BSYKPDE4APDE4C
SCHEMBL6873641 0.76 PDE4A (0.60) ACHEPDE4BPDE4APDE4CPDE4D
SCHEMBL12180743 0.74 ACHE (0.52) ACHEPDE4BSYKNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ACHE 1308/4885PDE4B 1145/4885SYK 3856/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ACHE 1308/4885PDE4B 1145/4885SYK 3856/4885

“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.