SCHEMBL6403530

SCHEMBL6403530

Cc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1NC(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.40
CTSD P07339 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6343224 0.78 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL4001716 0.76 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL23057067 0.75 ALDH1A1 (0.66) ALDH1A1MAPTNPSR1KDM4EPOLB
SCHEMBL6407500 0.75 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2MAPTNPSR1KDM4E
SCHEMBL4005240 0.74 GAA (0.71) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL6410153 0.73 KDM4E (0.43) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
SCHEMBL1946932 0.73 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTMAPTKDM4E
SCHEMBL4735003 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
SCHEMBL6939799 0.71 P2RX7 (0.59) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
SCHEMBL6343152 0.71 KMT2A (0.55) ALDH1A1SMN1; SMN2HTTMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050137248-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2005-06-23 US claimed
US-20030191163-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-10-09 US claimed
US-20030105153-A1 Substituted cyclic amine metalloprotease inhibitors PROCTER & GAMBLE COMPANY, THE 2003-06-05 US claimed
US-6417219-B1 ENZYME INHIBITORS AND OSTEOARTHRITIS THE PROCTOR & GAMBLE COMPANY 2002-07-09 US claimed
US-20020072517-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2002-06-13 US claimed
US-20020061877-A1 Substituted cyclic amine metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2002-05-23 US claimed
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 (7 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 187/4885SMN1; SMN2 3028/4885HTT 2638/4885
US-20020061877-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 ALDH1A1 314/4885SMN1; SMN2 1518/4885HTT 3966/4885
US-20030013721-A1 Novel piperidine and piperazine derivatives IL5, VIP, EP300 ALDH1A1 68/4885SMN1; SMN2 2063/4885HTT 2520/4885
US-20030191163-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 ALDH1A1 314/4885SMN1; SMN2 1518/4885HTT 3966/4885
US-20050137248-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 ALDH1A1 538/4885SMN1; SMN2 1619/4885HTT 3701/4885
US-20020072517-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 ALDH1A1 314/4885SMN1; SMN2 1518/4885HTT 3966/4885
US-20030105153-A1 Substituted cyclic amine metalloprotease inhibitors CMA1, ADAM17, MMP25 ALDH1A1 314/4885SMN1; SMN2 1518/4885HTT 3966/4885

“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.