SCHEMBL7475601

SCHEMBL7475601

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDIT3 P35638 1/20 0.57
POLB P06746 5/20 0.51
TDP1 Q9NUW8 4/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
MITF O75030 1/20 0.50
PAX8 Q06710 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7486107 0.75 GCK (0.52) POLBTDP1KMT2AALDH1A1GAA
SCHEMBL14638939 0.75 KMT2A (0.73) POLBTDP1KMT2AALDH1A1GAA
SCHEMBL14638937 0.75 POLB (0.50) POLBTDP1KMT2AALDH1A1GAA
SCHEMBL13605711 0.75 TSHR (0.71) POLBTDP1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16919781 0.73 DDIT3 (1.00) DDIT3KMT2AMITFPAX8ALDH1A1
SCHEMBL14638858 0.73 LOX (0.59) POLBTDP1KMT2AALDH1A1L3MBTL1
SCHEMBL2719072 0.72 POLB (0.67) POLBKMT2AATMALDH1A1GAA
SCHEMBL24667209 0.72 POLB (0.53) POLBTDP1KMT2AALDH1A1GAA
SCHEMBL31234627 0.72 POLB (0.75) POLBTDP1KMT2AATMALDH1A1
SCHEMBL2062534 0.72 POLB (0.75) POLBTDP1KMT2AATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495683-B2 HERPES VIRUS PHARMACIA AND UPJOHN COMPANY 2002-12-17 US disclosed
EP-1159279-B1 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2002-10-16 EP disclosed
US-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-01-17 US disclosed
EP-1159279-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-05 EP disclosed
US-6239142-B1 HERPES VIRUS INFECTION PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
WO-2000053610-A2 4-OXO-4,7-DIHYDRO-THIENO[2,3-b]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-09-14 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 (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-20020006937-A1 4-OXO-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxamides as antiviral agents IRF3, IL4, ZC3HAV1 DDIT3 1404/4885POLB 751/4885TDP1 942/4885

“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.