SCHEMBL1156870

SCHEMBL1156870

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.41
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM2B Q8NHM5 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CTSK P43235 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KLK7 P49862 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 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
SCHEMBL1156704 0.89 BRAF (0.42) BRAFKDM4EALDH1A1KDM2BMEN1
SCHEMBL2410005 0.85 PTGDR2 (0.34) KDM4EALDH1A1KDM2BCTSKMAPT
SCHEMBL1156867 0.83 BRAF (0.41) BRAFKDM4EALDH1A1KDM2BKLK7
SCHEMBL1156744 0.83 SLC22A12 (0.40) KDM4EALDH1A1CYP3A4CYP2C19HSD17B10
SCHEMBL1278704 0.82 FNTA (0.36) ALDH1A1HSD17B10CYP11B1CYP11B2
SCHEMBL1156546 0.82 KLK7 (0.36) KDM4EALDH1A1KDM2BCTSKKLK7
SCHEMBL1977125 0.81 ALDH1A1 (0.39) ALDH1A1MAPTCYP11B1
SCHEMBL1157223 0.81 BRAF (0.44) BRAFKDM4EALDH1A1MEN1KMT2A
SCHEMBL1278459 0.81 PTGER2 (0.33) KDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4417845 0.81 PTGDR2 (0.31) KDM2BHDAC1

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 2101/4885KDM4E 2128/4885ALDH1A1 2505/4885

“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.