SCHEMBL10097608

SCHEMBL10097608

CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(N)c2ccc(OCCN3CCOCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK14 Q16539 3/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL10097615 0.91 LTA4H (0.56) LTA4HBCHEACHEMAOBADORA3
SCHEMBL10097317 0.91 LTA4H (0.48) LTA4HNPC1RAB9AKDM4EALDH1A1
SCHEMBL10249443 0.90 LTA4H (0.47) LTA4HBCHEACHEADORA2AADORA1
SCHEMBL10097548 0.89 HRH3 (0.43) ALDH1A1
SCHEMBL980986 0.88 LTA4H (0.45) LTA4HBCHEACHECA12CA1
SCHEMBL10097640 0.87 KIT (0.43) ALDH1A1
SCHEMBL10097565 0.87 HRH3 (0.43) ALDH1A1
SCHEMBL10097619 0.86 HRH3 (0.45) ALDH1A1
SCHEMBL13152367 0.84 BCHE (0.50) BCHEACHECA12CA1CA2
SCHEMBL10249355 0.84 NPC1 (0.42) LTA4HACHENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS LTA4H 714/4885BCHE 397/4885ACHE 972/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP LTA4H 1203/4885BCHE 909/4885ACHE 2852/4885

“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.