SCHEMBL6402838

SCHEMBL6402838

Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 2/20 0.47
MCOLN3 Q8TDD5 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CCR2 P41597 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14574914 0.80 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL2038302 0.79 MAPT (0.73) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL7689464 0.78 TSHR (0.42) ALDH1A1TSHRCYP3A4MAPTCES2
SCHEMBL2056734 0.77 TSHR (0.55) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL21101926 0.76 LMNA (0.42) ALDH1A1RECQLMAPTHSD17B10HTT
SCHEMBL3924109 0.76 MAPT (0.54) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL29397077 0.75 MCOLN3 (0.58) ALDH1A1TSHRCYP3A4RECQLMCOLN3
SCHEMBL994972 0.75 MCOLN3 (0.58) ALDH1A1TSHRCYP3A4RECQLMCOLN3
SCHEMBL654076 0.75 ALDH1A1 (0.55) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL6828525 0.74 MAPT (0.61) ALDH1A1TSHRCYP3A4RECQLMAPT

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-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 US disclosed
US-6969713-B2 Piperidine and piperazine acetamide derivatives ASTRAZENECA AB (SE) 2005-11-29 US disclosed
EP-1242427-B1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2003-08-13 EP disclosed
US-20030013721-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB (SE) 2003-01-16 US disclosed
EP-1242427-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001046200-A1 NOVEL PIPERIDINE AND PIPERAZINE DERIVATIVES ASTRAZENECA AB (SE) 2001-06-28 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 (2 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 ALDH1A1 187/4885TSHR 2978/4885CYP3A4 40/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 ALDH1A1 68/4885TSHR 2746/4885CYP3A4 60/4885

“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.