SCHEMBL3393835

SCHEMBL3393835

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 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
ALDH1A1 P00352 1/20 0.32
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
GPR35 Q9HC97 1/20 0.31
KDM6B O15054 1/20 0.30
FTO Q9C0B1 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
HIF1AN Q9NWT6 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KDM3A Q9Y4C1 1/20 0.30

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 1.00 GRK6 (0.33) GRK6HTTMEN1GAAKMT2A
SCHEMBL3393830 0.88 ALDH1A1 (0.33) GRK6HTTMEN1GAAKMT2A
SCHEMBL3391703 0.80 KDM4E (0.31) GAAMAPTLMNA
SCHEMBL1522713 0.77 NPC1 (0.34) HTTMEN1GAAKMT2AMAPT
SCHEMBL27649419 0.73 LMNA (0.33) HTTMEN1GAAKMT2AALDH1A1
SCHEMBL3393407 0.70 KDM4E (0.40) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL3391681 0.69 ALDH1A1 (0.36) GAAALDH1A1MAPTLMNA
SCHEMBL3389375 0.69 CA2 (0.40) GRK6ALDH1A1LMNA
SCHEMBL1522711 0.68 NPC1 (0.34) HTTMEN1GAAKMT2AMAPT
SCHEMBL3390616 0.67 RAB9A (0.31) GAAALDH1A1

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 GRK6 4123/4885HTT 4085/4885MEN1 4676/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 GRK6 4013/4885HTT 4340/4885MEN1 4453/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT GRK6 4153/4885HTT 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.