SCHEMBL835491

SCHEMBL835491

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ABCC9 O60706 5/20 0.33
ABCC8 Q09428 5/20 0.33
KCNJ11 Q14654 5/20 0.33
KCNJ8 Q15842 5/20 0.33
ATR Q13535 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 3/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
NR1I2 O75469 1/20 0.32
MAPT P10636 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
SCHEMBL3468702 0.76 CA12 (0.44) KMT2AMEN1ALDH1A1ABCC9ABCC8
SCHEMBL1477073 0.75 ESR1 (0.34) KMT2AALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL2303282 0.75 TSHR (0.44) KMT2AMEN1ALDH1A1ATRCYP3A4
SCHEMBL18148609 0.75 F2 (0.42) ATRHSD11B1CA1CA2CA9
SCHEMBL883462 0.75 TSHR (0.44) KMT2AMEN1ALDH1A1ATRCYP3A4
SCHEMBL22578640 0.73 ALDH1A1 (0.41) KMT2AALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL12750939 0.72 CA1 (0.43) KMT2AMEN1ALDH1A1ABCC9ABCC8
SCHEMBL837152 0.72 HTT (0.40) ALDH1A1TSHRMAPT
SCHEMBL23145884 0.71 ATR (0.40) KMT2AMEN1ALDH1A1ATRCA1
SCHEMBL10051833 0.71 HSD11B1 (0.50) KMT2AMEN1ALDH1A1CYP3A4HSD11B1

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-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KMT2A 1670/4885MEN1 3831/4885ALDH1A1 2605/4885

“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.