SCHEMBL1642489

SCHEMBL1642489

O=C(CC(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 1/20 0.58
XBP1 P17861 1/20 0.58
HTT P42858 1/20 0.58
TSHR P16473 3/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CNR1 P21554 1/20 0.47
RORC P51449 1/20 0.47

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
SCHEMBL3485323 0.80 ALDH1A1 (0.49) LMNAGAASMN1; SMN2MAPTXBP1
SCHEMBL3964774 0.79 MAPT (0.82) LMNAGAASMN1; SMN2MAPTXBP1
SCHEMBL3959067 0.79 MAPT (0.80) GAASMN1; SMN2MAPTXBP1HTT
SCHEMBL1643497 0.77 MAPT (0.61) LMNAGAASMN1; SMN2MAPTXBP1
SCHEMBL27764417 0.76 MAPT (0.83) MAPTXBP1HTTKMT2AMEN1
SCHEMBL4009897 0.76 CNR1 (0.65) LMNASMN1; SMN2MAPTXBP1HTT
SCHEMBL3484973 0.76 CACNA1B (0.59) RORC
SCHEMBL4012507 0.75 MAPT (0.72) GAASMN1; SMN2MAPTXBP1HTT
SCHEMBL3485481 0.75 CACNA1B (0.54) ALDH1A1RORC
SCHEMBL12310740 0.74 ALDH1A1 (0.63) LMNAGAASMN1; SMN2HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399486-B2 Benzenesulfonyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-03-19 US claimed
US-20110098281-A9 Benzenesulfonyl Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2011-04-28 US claimed
US-20100063030-A1 Benzenesulfonyl Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2010-03-11 US claimed
WO-2008124118-A1 BENZENESULFONYL COMPOUNDS AND THE USE THEROF PURDUE PHARMA L.P. (DE) 2008-10-16 WO claimed
US-8399486-B2 Benzenesulfonyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-03-19 US disclosed
US-8399486-B2 Benzenesulfonyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-03-19 US disclosed
US-8399486-B2 Benzenesulfonyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2013-03-19 US disclosed
US-20110098281-A9 Benzenesulfonyl Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2011-04-28 US disclosed
US-20110098281-A9 Benzenesulfonyl Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2011-04-28 US disclosed
US-20110098281-A9 Benzenesulfonyl Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2011-04-28 US disclosed
US-20100063030-A1 Benzenesulfonyl Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2010-03-11 US disclosed
US-20100063030-A1 Benzenesulfonyl Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2010-03-11 US disclosed
US-20100063030-A1 Benzenesulfonyl Compounds and the Use Thereof PURDUE PHARMA L.P. (US) 2010-03-11 US disclosed
WO-2008124118-A1 BENZENESULFONYL COMPOUNDS AND THE USE THEROF PURDUE PHARMA L.P. (DE) 2008-10-16 WO disclosed
WO-2008124118-A1 BENZENESULFONYL COMPOUNDS AND THE USE THEROF PURDUE PHARMA L.P. (DE) 2008-10-16 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 (2 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-20110098281-A9 Benzenesulfonyl Compounds and the Use Thereof CACNA1A, CACNA1I, TRPV1 LMNA 1564/4885GAA 2359/4885SMN1; SMN2 569/4885
US-20100063030-A1 Benzenesulfonyl Compounds and the Use Thereof CACNA1A, CACNA1I, TRPV1 LMNA 1564/4885GAA 2359/4885SMN1; SMN2 569/4885

“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.