SCHEMBL1156865

SCHEMBL1156865

CC(C)(C)C(Cc1cc(-c2cccnc2)n(S(=O)(=O)c2ccccc2C#N)c1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.40
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
ITGB1 P05556 2/20 0.34
ITGA4 P13612 2/20 0.34
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PTPN1 P18031 1/20 0.33
MAPK14 Q16539 1/20 0.33
XDH P47989 1/20 0.33
GPR132 Q9UNW8 3/20 0.33
CMKLR2 P46091 1/20 0.33
CMKLR1 Q99788 1/20 0.33
ITGB7 P26010 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL2409999 0.85 PTPN1 (0.33) ITGB1ITGA4HDAC1KDM4EPTPN1
SCHEMBL1156738 0.83 SLC22A12 (0.40) CTSVCTSLCTSBCTSSITGB1
SCHEMBL1156705 0.82 BRAF (0.42) BRAFCTSVCTSLCTSBCTSS
SCHEMBL1278698 0.82 SLC22A12 (0.36)
SCHEMBL1977122 0.82 NAMPT (0.37) BRAFCTSVCTSLCTSBCTSS
SCHEMBL1156543 0.82 LMNA (0.37) KDM4EALDH1A1PTPN1
SCHEMBL1157223 0.81 BRAF (0.44) BRAFHDAC1KDM4EALDH1A1MEN1
SCHEMBL1156704 0.80 BRAF (0.42) BRAFKDM4EALDH1A1XDHMEN1
SCHEMBL1278455 0.80 PTGDR2 (0.32) CTSVCTSLCTSBCTSS
SCHEMBL1156870 0.80 BRAF (0.41) BRAFHDAC1KDM4EALDH1A1MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 BRAF 2101/4885CTSV 2126/4885CTSL 1192/4885

“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.