SCHEMBL1156641

SCHEMBL1156641

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.41
APAF1 O14727 1/20 0.41
UBE2N P61088 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL1156879 0.88 AKR1C3 (0.41) AKR1C3ALDH1A1MAPTAPAF1UBE2N
SCHEMBL1156892 0.88 AKR1C3 (0.47) AKR1C3ALDH1A1APAF1UBE2NKMT2A
SCHEMBL1156453 0.88 GAA (0.44) AKR1C3ALDH1A1APAF1UBE2NKMT2A
SCHEMBL1157063 0.88 KMT2A (0.48) ALDH1A1KMT2ALMNAMEN1HSD17B10
SCHEMBL1156474 0.86 HTR6 (0.41) ALDH1A1SMN1; SMN2POLBNPC1RAB9A
SCHEMBL1156425 0.86 AKR1C3 (0.46) AKR1C3ALDH1A1MAPTSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1156347 0.85 AKR1C3 (0.45) AKR1C3ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL1156447 0.84 AOC3 (0.43) ALDH1A1APAF1UBE2NTP53KMT2A
SCHEMBL1157154 0.82 TSHR (0.55) AKR1C3ALDH1A1MAPK1TSHR
SCHEMBL1156430 0.81 HTR6 (0.41)

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 1389/4885ALDH1A1 2529/4885MAPT 4669/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 AKR1C3 1458/4885ALDH1A1 2593/4885MAPT 4660/4885
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 512/4885ALDH1A1 1764/4885MAPT 4818/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 AKR1C3 1403/4885ALDH1A1 2505/4885MAPT 4670/4885

“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.