SCHEMBL3393830

SCHEMBL3393830

O=C(O)CC1=NS(=O)(=O)c2c(ccc(O)c2[N+](=O)[O-])N1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
CASP7 P55210 1/20 0.32
CASP6 P55212 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRK6 P43250 2/20 0.31
GPR35 Q9HC97 1/20 0.31

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
SCHEMBL3393836 0.88 GRK6 (0.33) ALDH1A1HTTMEN1GAAKMT2A
SCHEMBL3393835 0.88 GRK6 (0.33) ALDH1A1HTTMEN1GAAKMT2A
SCHEMBL27649419 0.84 LMNA (0.33) ALDH1A1HTTMEN1GAAKMT2A
SCHEMBL3391681 0.80 ALDH1A1 (0.36) ALDH1A1GAAMAPTLMNA
SCHEMBL1522711 0.77 NPC1 (0.34) HTTMEN1GAAKMT2AMAPT
SCHEMBL15884036 0.74 CYP1A2 (0.44) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL3393400 0.70 ALDH1A1 (0.44) ALDH1A1MEN1GAAKMT2AMAPT
SCHEMBL6686546 0.69 CXCR2 (0.38) ALDH1A1GAAMAPTLMNA
SCHEMBL3391703 0.69 KDM4E (0.31) GAAMAPTLMNA
SCHEMBL3389367 0.69 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTLMNA

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
EP-1560827-B1 ANTI-INFECTIVE AGENTS ABBOTT LAB (US) 2010-12-29 EP disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 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 (3 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB ALDH1A1 1434/4885HTT 4085/4885MEN1 4676/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 ALDH1A1 891/4885HTT 4340/4885MEN1 4453/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT ALDH1A1 1592/4885HTT 3990/4885MEN1 4797/4885

“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.