SCHEMBL1477073

SCHEMBL1477073

CC(C)(C)N(C(=O)O)c1ccc(S(C)(=N)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.34
ALDH1A1 P00352 2/20 0.33
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL22578640 0.81 ALDH1A1 (0.41) ESR1ALDH1A1KEAP1NFE2L2KMT2A
SCHEMBL1530165 0.78 ESR1 (0.39) ESR1ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL835491 0.75 KMT2A (0.35) ALDH1A1KMT2AMAPTCA12CA1
SCHEMBL7034982 0.74 KMT2A (0.47) ALDH1A1L3MBTL1KMT2AMAPTTSHR
SCHEMBL5480662 0.73 RECQL (0.41) ALDH1A1KMT2AMAPTNPC1POLB
SCHEMBL1064506 0.73 TDP1 (0.41) ALDH1A1L3MBTL1KMT2AMAPTTSHR
SCHEMBL2472803 0.73 MEN1 (0.43) ALDH1A1KMT2AMAPTTSHRNPC1
SCHEMBL17645554 0.73 TPMT (0.40) L3MBTL1KMT2ACA1CA2
SCHEMBL16594120 0.73 KMT2A (0.42) ALDH1A1KMT2AMAPTCA1CA2
SCHEMBL5526810 0.72 MAPT (0.44) ALDH1A1L3MBTL1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 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-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 ESR1 3192/4885ALDH1A1 2320/4885KEAP1 1313/4885

“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.