SCHEMBL4472128

SCHEMBL4472128

CS(=O)(=O)NCCCOS(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
ALOX15 P16050 2/20 0.61
USP2 O75604 2/20 0.61
TSHR P16473 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
MMP9 P14780 1/20 0.61
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.33
CYP4F2 P78329 1/20 0.33

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
SCHEMBL22070686 0.91 ALDH1A1 (0.62) ALDH1A1ALOX15USP2TSHRKDM4E
SCHEMBL3706930 0.86 ALDH1A1 (0.52) ALDH1A1ALOX15USP2TSHRKDM4E
SCHEMBL13056651 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15USP2TSHRKDM4E
SCHEMBL16202245 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15USP2TSHRKDM4E
Improsulfan SCHEMBL8954 0.81 USP2 (0.67) ALDH1A1ALOX15USP2TSHRKDM4E
Improsulfan SCHEMBL844581 0.79 USP2 (0.64) ALDH1A1ALOX15USP2TSHRKDM4E
Improsulfan SCHEMBL5886799 0.79 TSHR (0.71) ALDH1A1ALOX15USP2TSHRKDM4E
Improsulfan SCHEMBL10628525 0.79 USP2 (0.64) ALDH1A1ALOX15USP2TSHRKDM4E
SCHEMBL48262 0.79 MAPK1 (0.52) ALDH1A1TSHRKDM4ELMNAPOLB
SCHEMBL2640956 0.79 USP2 (0.64) ALDH1A1ALOX15USP2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638535-B2 (3S)-trans)-8-methyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine-6-carboxylic acid [3-hydroxy-1-(3-methoxy-propyl)-piperidin-4-ylmethyl]-amide; hypermotility, irritable bowel syndrome, constipation or diarrhea predominant IDS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA N.V. (BE) 2009-12-29 US disclosed
US-7635706-B2 1-butyl-3-hydroxy4-piperidinyl)methyl 8-amino-7-chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylate and chemical intermediates; treating hypermotility, irritable bowel syndrome (IBS) constipation or diarrhea predominant IBS, pain and non-pain predominant IBS and bowel hypersensitivity JANSSEN PHARMACEUTICA NV (BE) 2009-12-22 US disclosed
EP-1638959-B1 5HT -4 -ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA NV (BE) 2007-09-19 EP disclosed
EP-1641784-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
US-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-14 US disclosed
EP-1641784-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP disclosed
WO-2005000838-A1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
US-5587383-A CALMODULIN INHIBITORS; ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-24 US disclosed
EP-0471236-B1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-03-15 EP disclosed
US-5395839-A Calmodulin and angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-07 US disclosed
US-5244908-A Calmodulin inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-14 US disclosed
EP-0471236-A1 Imidazopyridine derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-02-19 EP disclosed
US-4524073-A β-Lactam compounds BEECHAM GROUP P.1.C. (GB) 1985-06-18 US disclosed
EP-0101199-A1 Beta-lactam compounds BEECHAM GROUP PLC (GB) 1984-02-22 EP 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-20070032486-A1 5Ht4-antagonistic 4-(aminomethyl)-piperidine benzamides HTR4, HTR2B, TPH2 ALDH1A1 854/4885ALOX15 1975/4885USP2 3647/4885
US-20060281753-A1 4-(Aminomethyl)-piperidine benzamides as 5ht4 - antagonists HTR4, HTR2B, HTR5A ALDH1A1 828/4885ALOX15 1632/4885USP2 3799/4885

“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.