SCHEMBL1762707

SCHEMBL1762707

CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(F)c(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.44
HTR6 P50406 4/20 0.41
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
CCKAR P32238 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.34
GRM4 Q14833 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34

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
Hydrochloric Acid SCHEMBL1156992 0.99 ALDH3A1 (0.44) ALDH3A1HTR6KMT2AGAACCKAR
SCHEMBL1156132 0.88 ELAVL1 (0.42) ALDH3A1HTR6KMT2AGAASMN1; SMN2
SCHEMBL1580382 0.88 TUBB4A (0.38) ALDH3A1PTGDR2
Hydrochloric Acid SCHEMBL1157261 0.87 TUBB4A (0.37) ALDH3A1PTGDR2
SCHEMBL1580766 0.86 HTR6 (0.43) HTR6
SCHEMBL1580383 0.86 LMNA (0.43) ALDH3A1HTR6KMT2AGAAMEN1
Hydrochloric Acid SCHEMBL1156349 0.85 HTR6 (0.42) HTR6
Hydrochloric Acid SCHEMBL1156771 0.85 LMNA (0.42) ALDH3A1HTR6KMT2AGAAMEN1
SCHEMBL1580822 0.84 ALOX5 (0.41) HTR6
SCHEMBL1156619 0.84 L3MBTL1 (0.47) ALDH3A1HTR6KMT2AGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9186411-B2 Pharmaceutical composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20130261156-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-10-03 US disclosed
EP-2564833-A1 Photostabilized pharmaceutical composition Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110124687-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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 (2 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-20110124687-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 ALDH3A1 2636/4885HTR6 1727/4885KMT2A 1862/4885
US-20130261156-A1 PHARMACEUTICAL COMPOSITION CYP2C19, MLST8, CYP3A43 ALDH3A1 2636/4885HTR6 1727/4885KMT2A 1862/4885

“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.