SCHEMBL1156490

SCHEMBL1156490

COC(=O)c1cc(Br)n(S(=O)(=O)c2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALPL P05186 1/20 0.42
TSHR P16473 3/20 0.41
HDAC1 Q13547 1/20 0.41
NR4A2 P43354 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
SLC2A1 P11166 1/20 0.40
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
USP2 O75604 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL1156081 0.85 KMT2A (0.56) ALDH1A1KMT2AMEN1TSHRHDAC1
SCHEMBL4794075 0.84 KMT2A (0.55) ALDH1A1KMT2AMEN1TSHRHDAC1
SCHEMBL4794078 0.83 KMT2A (0.54) ALDH1A1KMT2AMEN1TSHRHDAC1
SCHEMBL1156214 0.81 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1POLBKDM4E
SCHEMBL1156551 0.80 HTR6 (0.43) ALDH1A1KMT2AMEN1KDM4EFBP1
SCHEMBL30894737 0.79 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP19A1CYP11B1
SCHEMBL1156364 0.79 CYP2C9 (0.46) ALDH1A1KMT2AMEN1TSHRGAA
SCHEMBL16618849 0.78 KMT2A (0.56) ALDH1A1HSD17B10KMT2AMEN1ALPL
SCHEMBL1156585 0.78 FBP1 (0.45) ALDH1A1KMT2AMEN1HDAC1KDM4E
SCHEMBL1156099 0.78 ALDH1A1 (0.51) ALDH1A1TSHRHDAC1POLBGAA

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 ALDH1A1 2529/4885HSD17B10 730/4885KMT2A 2240/4885
US-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ALDH1A1 2593/4885HSD17B10 1236/4885KMT2A 2262/4885
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 ALDH1A1 1764/4885HSD17B10 1675/4885KMT2A 2049/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ALDH1A1 2505/4885HSD17B10 746/4885KMT2A 2255/4885

“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.