SCHEMBL1156879

SCHEMBL1156879

CNC(=O)c1cccc(S(=O)(=O)n2cc(CN(C)C(=O)OC(C)(C)C)cc2-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
TRPV4 Q9HBA0 1/20 0.38
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
APAF1 O14727 1/20 0.37
UBE2N P61088 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
GLS O94925 1/20 0.36

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
SCHEMBL1156752 0.91 AKR1C3 (0.40) AKR1C3HTR2CSLC6A4APAF1UBE2N
SCHEMBL1156368 0.90 CTSG (0.42) TRPV4HTR2CSLC6A4APAF1UBE2N
SCHEMBL1157052 0.90 ABHD6 (0.39) AKR1C3TRPV4HTR2CSLC6A4APAF1
SCHEMBL1156707 0.90 AKR1C3 (0.42) AKR1C3HTR2CSLC6A4APAF1UBE2N
SCHEMBL1156776 0.89 LMNA (0.45) HTR2CSLC6A4ALDH1A1MEN1KMT2A
SCHEMBL1156641 0.88 AKR1C3 (0.45) AKR1C3APAF1UBE2NALDH1A1MAPT
SCHEMBL1157164 0.88 HTR2C (0.42) TRPV4HTR2CSLC6A4GLS
SCHEMBL30894736 0.87 HTR2C (0.38) TRPV4HTR2CSLC6A4GLS
SCHEMBL1156944 0.84 TSHR (0.49) AKR1C3ALDH1A1MAPK1
SCHEMBL1156392 0.83 RORC (0.40) TRPV4HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 US disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 EP disclosed
US-20140343070-A1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-20 US disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 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 (4 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-20140343070-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 AKR1C3 1389/4885TRPV4 2946/4885HTR2C 953/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 AKR1C3 1458/4885TRPV4 3023/4885HTR2C 744/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 AKR1C3 512/4885TRPV4 2761/4885HTR2C 346/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 AKR1C3 1403/4885TRPV4 2931/4885HTR2C 924/4885

“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.