SCHEMBL1156665

SCHEMBL1156665

CCOC(=O)c1cn(S(=O)(=O)c2cccc(C)c2)c(Br)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 2/20 0.39
ELANE P08246 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
AURKB Q96GD4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL1156620 0.85 LMNA (0.56) TSHRKDM4ELMNAL3MBTL1KMT2A
SCHEMBL1156573 0.83 ALDH1A1 (0.43) TSHRKDM4ELMNAL3MBTL1HIF1A
SCHEMBL1156826 0.77 MEN1 (0.46) LMNANPSR1KMT2AALDH1A1MAPT
SCHEMBL1156229 0.75 KMT2A (0.62) KDM4ELMNAKMT2ASMN1; SMN2HPGD
SCHEMBL1156303 0.70 ALDH1A1 (0.58) TSHRKDM4ELMNAL3MBTL1NPSR1
SCHEMBL1156559 0.70 TSHR (0.52) TSHRKDM4ELMNAL3MBTL1KMT2A
SCHEMBL1156189 0.68 KMT2A (0.47) TSHRKDM4ELMNAKMT2ASMN1; SMN2
SCHEMBL2027511 0.68 BAZ2B (0.53) TSHRKDM4ELMNAL3MBTL1NPSR1
SCHEMBL6422004 0.68 NOD2 (0.53) TSHRKDM4ELMNAL3MBTL1NPSR1
SCHEMBL1156781 0.67 ALDH1A1 (0.47) TSHRKDM4ELMNAL3MBTL1NPSR1

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 TSHR 148/4885KDM4E 2114/4885LMNA 3729/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 TSHR 171/4885KDM4E 2305/4885LMNA 3457/4885
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 402/4885KDM4E 887/4885LMNA 4165/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 TSHR 146/4885KDM4E 2128/4885LMNA 3735/4885

“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.