SCHEMBL1156780

SCHEMBL1156780

CCOC(=O)c1cc(-c2ccccc2C)[nH]c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALOX5 P09917 2/20 0.46
PTGES O14684 1/20 0.46
KDM4E B2RXH2 2/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
GCGR P47871 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
METTL3 Q86U44 1/20 0.43
GRM6 O15303 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL1156526 0.87 ALOX5 (0.47) TSHRALOX5KDM4ECYP4F2CYP4A11
SCHEMBL30544723 0.87 ALOX5 (0.47) TSHRALOX5KDM4ECYP4F2CYP4A11
SCHEMBL1156618 0.86 LMNA (0.47) TSHRKDM4EALDH1A1PDE3BPDE3A
SCHEMBL1156103 0.84 KDM4E (0.46) TSHRALOX5KDM4ECYP4F2CYP4A11
SCHEMBL1156100 0.83 GCGR (0.54) TSHRKDM4ECYP4F2CYP4A11GCGR
SCHEMBL25356670 0.80 GCGR (0.48) TSHRKDM4ECYP4F2CYP4A11GCGR
SCHEMBL12647991 0.78 TSHR (0.51) TSHRALOX5PTGESKDM4ECYP4F2
SCHEMBL1278493 0.77 TSHR (0.44) TSHRKDM4ECYP4F2CYP4A11GCGR
Hydrochloric Acid SCHEMBL1156419 0.77 LMNA (0.46) TSHRKDM4EGCGRALDH1A1HSD17B10
SCHEMBL1589901 0.76 TSHR (0.61) TSHRALOX5PTGESKDM4EALDH1A1

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 148/4885ALOX5 1027/4885PTGES 410/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 TSHR 171/4885ALOX5 1608/4885PTGES 333/4885
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 402/4885ALOX5 34/4885PTGES 14/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 TSHR 146/4885ALOX5 993/4885PTGES 410/4885

“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.