SCHEMBL1156586

SCHEMBL1156586

N#Cc1ccc(S(=O)(=O)n2cc(CNC(=O)O)cc2-c2ccccc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGLN2 Q96KS0 2/20 0.35
TRPV4 Q9HBA0 3/20 0.35
ACLY P53396 2/20 0.35
CHRM4 P08173 1/20 0.35
MCL1 Q07820 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
STAT3 P40763 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL1580382 0.89 TUBB4A (0.38) PTGDR2EGLN2TRPV4ACLYTUBB4A
Hydrochloric Acid SCHEMBL1157261 0.88 TUBB4A (0.37) EGLN1PTGDR2EGLN2TRPV4ACLY
SCHEMBL1156521 0.81 ACLY (0.35) PTGDR2TRPV4ACLYL3MBTL1
SCHEMBL1156523 0.77 CYP11B1 (0.38) EGLN2TRPV4ACLYTUBB4ATUBB
SCHEMBL1762707 0.77 ALDH3A1 (0.44) PTGDR2ALOX15SMN1; SMN2HSD17B10GAA
SCHEMBL1762825 0.77 SLC22A12 (0.36) PTGDR2ACLYALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL1156228 0.76 SLC22A12 (0.36) PTGDR2ACLYALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL1156992 0.76 ALDH3A1 (0.44) PTGDR2ALOX15SMN1; SMN2HSD17B10GAA
SCHEMBL1156678 0.74 CCKBR (0.37) HSD17B10ALDH1A1LMNAGAA
SCHEMBL1156433 0.73 KAT6A (0.41) ACLYLMNA

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 EGLN1 774/4885PTGDR2 614/4885ALOX15 1264/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 EGLN1 766/4885PTGDR2 699/4885ALOX15 1570/4885
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 EGLN1 1706/4885PTGDR2 31/4885ALOX15 58/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 EGLN1 761/4885PTGDR2 606/4885ALOX15 1233/4885

“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.