SCHEMBL1156752

SCHEMBL1156752

CN(Cc1cc(-c2ccccc2)n(S(=O)(=O)c2cccc(C(=O)O)c2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
ALDH1A1 P00352 2/20 0.40
AKR1C1 Q04828 2/20 0.40
MAPT P10636 1/20 0.39
IL1RN P18510 1/20 0.39
APAF1 O14727 1/20 0.39
UBE2N P61088 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
ABHD6 Q9BV23 1/20 0.37

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
SCHEMBL1157052 0.93 ABHD6 (0.39) AKR1C3ALDH1A1APAF1UBE2NMEN1
SCHEMBL1156707 0.93 AKR1C3 (0.42) AKR1C3ALDH1A1APAF1UBE2NMEN1
SCHEMBL1156368 0.92 CTSG (0.42) ALDH1A1APAF1UBE2NSMN1; SMN2MEN1
SCHEMBL1157164 0.91 HTR2C (0.42) HTR2CSLC6A4ABHD6
SCHEMBL1156879 0.91 AKR1C3 (0.41) AKR1C3ALDH1A1MAPTAPAF1UBE2N
SCHEMBL30894736 0.90 HTR2C (0.38) HTR2CSLC6A4ABHD6
SCHEMBL1156776 0.89 LMNA (0.45) ALDH1A1MEN1KMT2ALMNAHTR2C
SCHEMBL24863839 0.89 AKR1C3 (0.38) AKR1C3ALDH1A1AKR1C1MAPTIL1RN
SCHEMBL1156944 0.87 TSHR (0.49) AKR1C3ALDH1A1
SCHEMBL1156392 0.86 RORC (0.40) HTR2CSLC6A4ABHD6

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 2529/4885AKR1C1 1194/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 AKR1C3 1458/4885ALDH1A1 2593/4885AKR1C1 1216/4885
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 1764/4885AKR1C1 782/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 AKR1C3 1403/4885ALDH1A1 2505/4885AKR1C1 1188/4885

“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.