SCHEMBL1156779

SCHEMBL1156779

CC(C)(C)CN(Cc1cc(-c2ccccc2)n(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
ADRB2 P07550 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL1157063 0.87 KMT2A (0.48) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL1157054 0.85 GAA (0.40) ALDH1A1HTTLMNAGAANPSR1
SCHEMBL1156711 0.85 ALDH1A1 (0.43) KMT2AALDH1A1MEN1HTTGAA
SCHEMBL1156776 0.84 LMNA (0.45) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL1580924 0.83 LMNA (0.49) KMT2AALDH1A1MEN1HTTLMNA
Hydrochloric Acid SCHEMBL1156936 0.82 LMNA (0.48) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL1156773 0.80 ALDH1A1 (0.44) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL1157066 0.80 ALDH1A1 (0.47) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL1156393 0.79 PPME1 (0.40)
SCHEMBL1156641 0.75 AKR1C3 (0.45) KMT2AALDH1A1MEN1LMNAHSD17B10

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 KMT2A 2255/4885ALDH1A1 2505/4885MEN1 2402/4885

“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.