SCHEMBL5832337

SCHEMBL5832337

O=[N+]([O-])c1ccc(S(=O)(=O)N2C3CCCC32)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.74
PARL Q9H300 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
EPHX2 P34913 1/20 0.47

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
SCHEMBL32674218 0.82 ACHE (0.56) ACHEPARLSMN1; SMN2ALDH1A1LMNA
SCHEMBL30005295 0.79 SMN1; SMN2 (0.63) ACHEPARLSMN1; SMN2ALDH1A1LMNA
SCHEMBL31062215 0.78 ACHE (0.56) ACHEPARLSMN1; SMN2ALDH1A1LMNA
SCHEMBL8328565 0.78 ACHE (0.55) ACHEPARLSMN1; SMN2ALDH1A1LMNA
SCHEMBL2965640 0.78 ACHE (0.55) ACHEPARLSMN1; SMN2ALDH1A1LMNA
SCHEMBL9144277 0.77 PSEN1 (0.72) ACHESMN1; SMN2ALDH1A1LMNAMMP2
SCHEMBL2690876 0.77 ACHE (0.74) ACHESMN1; SMN2ALDH1A1HTTCA1
SCHEMBL9143334 0.76 ACHE (0.70) ACHEPARLALDH1A1LMNAHTT
SCHEMBL2961151 0.76 ACHE (0.52) ACHECA1CA2CA9EPHX2
SCHEMBL3157802 0.76 ACHE (0.52) ACHESMN1; SMN2ALDH1A1LMNAHTT

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-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-11-30 US disclosed
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9504689-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-11-29 US disclosed
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2015-08-27 US disclosed
US-8980878-B2 Compounds and methods for antiviral treatment GILEAD SCIENCES, INC. (US) 2015-03-17 US disclosed
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-20060167105-A1 CCR-3 receptor antagonists DU BOIS DAISY J 2006-07-27 US disclosed
US-7049317-B2 CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-05-23 US disclosed
EP-1427696-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2004-06-16 EP disclosed
US-20030119885-A1 CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC 2003-06-26 US disclosed
WO-2003022799-A1 CCR-3 RECEPTOR ANTAGONISTS V F. HOFFMANN-LA ROCHE AG (CH) 2003-03-20 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 (6 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-20030119885-A1 CCR-3 receptor antagonists CCR1, CCR3, CCR4 ACHE 4784/4885PARL 4669/4885SMN1; SMN2 2755/4885
US-20130273037-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ACHE 3353/4885PARL 3836/4885SMN1; SMN2 472/4885
US-20150238501-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ACHE 3353/4885PARL 3836/4885SMN1; SMN2 472/4885
US-20170342079-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ACHE 3353/4885PARL 3836/4885SMN1; SMN2 472/4885
US-20170029427-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT ZC3HAV1, SARS1, MAVS ACHE 3353/4885PARL 3836/4885SMN1; SMN2 472/4885
US-20060167105-A1 CCR-3 receptor antagonists CCR3, CCR1, CCR4 ACHE 4531/4885PARL 4324/4885SMN1; SMN2 3166/4885

“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.