SCHEMBL1156989

SCHEMBL1156989

CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2cccc(C(C)=O)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
ACLY P53396 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
FYN P06241 1/20 0.38

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
SCHEMBL1580937 0.92 AKR1C3 (0.44) ALDH1A1ACLYGAAHSD17B10KMT2A
Hydrochloric Acid SCHEMBL1156719 0.91 AKR1C3 (0.44) ALDH1A1ACLYGAAHSD17B10KMT2A
SCHEMBL1156425 0.90 AKR1C3 (0.46) ALDH1A1SMN1; SMN2GAAHSD17B10POLB
SCHEMBL1580817 0.90 GAA (0.43) ALDH1A1GAAHSD17B10POLBLMNA
SCHEMBL1156942 0.89 CTSG (0.48) ALDH1A1ACLYSMN1; SMN2GAALMNA
Hydrochloric Acid SCHEMBL1157374 0.89 GAA (0.42) ALDH1A1GAAHSD17B10POLBLMNA
Hydrochloric Acid SCHEMBL1156347 0.89 AKR1C3 (0.45) ALDH1A1SMN1; SMN2GAAHSD17B10POLB
Hydrochloric Acid SCHEMBL1156497 0.89 CTSG (0.48) ALDH1A1ACLYSMN1; SMN2GAALMNA
SCHEMBL1580258 0.89 AKR1C3 (0.44) ALDH1A1ACLYGAAHSD17B10POLB
Hydrochloric Acid SCHEMBL1156853 0.88 AKR1C3 (0.44) ALDH1A1ACLYGAAHSD17B10POLB

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 13 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
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 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
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP 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-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US 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 (6 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 ALDH1A1 2529/4885ACLY 498/4885SMN1; SMN2 4267/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ALDH1A1 2593/4885ACLY 479/4885SMN1; SMN2 4075/4885
US-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 ALDH1A1 1146/4885ACLY 2981/4885SMN1; SMN2 3050/4885
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 ALDH1A1 1764/4885ACLY 4070/4885SMN1; SMN2 2491/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ALDH1A1 2505/4885ACLY 501/4885SMN1; SMN2 4245/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 ALDH1A1 1146/4885ACLY 2981/4885SMN1; SMN2 3050/4885

“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.