SCHEMBL12157463

SCHEMBL12157463

CS(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.73
RECQL P46063 1/20 0.73
ALDH1A1 P00352 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.60
AKR1C3 P42330 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL13800995 0.87 TSHR (0.65) TSHRL3MBTL1SMN1; SMN2HPGDMEN1
SCHEMBL2304996 0.86 TSHR (0.73) TSHRRECQLALDH1A1L3MBTL1AKR1C3
SCHEMBL14568934 0.83 TSHR (0.70) TSHRRECQLALDH1A1L3MBTL1AKR1C3
SCHEMBL92032 0.83 TSHR (0.70) TSHRRECQLALDH1A1L3MBTL1AKR1C3
SCHEMBL10720509 0.83 L3MBTL1 (0.71) TSHRRECQLALDH1A1L3MBTL1KDM4E
SCHEMBL5400975 0.83 TSHR (0.51) TSHRRECQLALDH1A1KMT2A
SCHEMBL8092768 0.80 TSHR (0.49) TSHRRECQLALDH1A1AKR1C3SMN1; SMN2
SCHEMBL7491 0.79 HPGD (0.71) TSHRRECQLALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL16002987 0.79 HRH1 (0.53) TSHRRECQLALDH1A1L3MBTL1RAB9A
SCHEMBL28294867 0.79 HPGD (0.71) TSHRRECQLALDH1A1L3MBTL1SMN1; SMN2

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 10 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-2922841-B1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2017-06-07 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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 TSHR 171/4885RECQL 545/4885ALDH1A1 2593/4885
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 TSHR 402/4885RECQL 1984/4885ALDH1A1 1764/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 TSHR 146/4885RECQL 651/4885ALDH1A1 2505/4885

“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.