SCHEMBL3066548

SCHEMBL3066548

CC(C)(C)S(=O)(=O)Nc1ccccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ELANE P08246 3/20 0.50
PRTN3 P24158 2/20 0.50
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 2/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
SNCA P37840 1/20 0.35
PTGES2 Q9H7Z7 4/20 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
SCHEMBL3031668 0.79 CYP2C9 (0.60) CYP2C9CYP2C19ELANEPRTN3LMNA
SCHEMBL12675597 0.76 PSIP1 (0.58) CYP2C9CYP2C19ELANEPRTN3LMNA
SCHEMBL12932924 0.76 ALDH1A1 (0.50) THRBCA2ALDH1A1TSHR
SCHEMBL3831681 0.75 CA2 (0.40) ELANEPRTN3KMT2ACA2CA1
SCHEMBL14830771 0.74 PSIP1 (0.59) CA2ALDH1A1TSHRCA1PTGES2
SCHEMBL5849242 0.74 CA2 (0.46) LMNAMEN1KMT2ACA2CA1
SCHEMBL29226190 0.73 LMNA (0.48) CYP2C9CYP2C19ELANEPRTN3LMNA
SCHEMBL8459483 0.73 CYP2C9 (0.76) CYP2C9CYP2C19ELANEPRTN3LMNA
SCHEMBL3059173 0.72 CYP2C9 (0.54) CYP2C9CYP2C19ELANEPRTN3LMNA
SCHEMBL3066546 0.71 SLC22A12 (0.43) CA2ALDH1A1CA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 CYP2C9 250/4885CYP2C19 219/4885ELANE 1421/4885

“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.