SCHEMBL4892513

SCHEMBL4892513

CCCc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
ATG4B Q9Y4P1 2/20 0.47
FFAR4 Q5NUL3 1/20 0.46
KMO O15229 1/20 0.45
GAB1 Q13480 1/20 0.45

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
SCHEMBL2783467 0.82 MEN1 (0.58) MEN1RAB9AKMT2ANPC1LMNA
SCHEMBL7978716 0.81 STAT3 (0.59) MEN1RAB9AKMT2ANPC1LMNA
SCHEMBL4894832 0.79 ATG4B (0.55) MEN1RAB9AKMT2ANPC1LMNA
SCHEMBL3256497 0.76 AKT1 (0.48) AKT1ALDH1A1FFAR4GAB1
SCHEMBL3256711 0.76 AKT1 (0.56) AKT1ALDH1A1FFAR4GAB1
SCHEMBL3253214 0.74 AKT1 (0.46) AKT1FFAR4GAB1
SCHEMBL3251192 0.73 AKT1 (0.48) AKT1ALDH1A1SMN1; SMN2FFAR4GAB1
SCHEMBL3256635 0.73 AKT1 (0.51) AKT1MEN1KMT2ALMNAALDH1A1
SCHEMBL3248288 0.72 AKT1 (0.45) AKT1ALDH1A1FFAR4GAB1
SCHEMBL3251447 0.72 AKT1 (0.45) AKT1FFAR4GAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001090093-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO claimed
US-20080033046-A1 Treatment of myocardial infarction with 11HSD1 inhibitors UNIVERSITY OF EDINBURGH (GB) 2008-02-07 US disclosed
WO-2001090093-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 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-20080033046-A1 Treatment of myocardial infarction with 11HSD1 inhibitors HSD11B1, HSD11B2, CYP11B1 AKT1 2577/4885MEN1 2830/4885RAB9A 3119/4885

“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.