SCHEMBL1643497

SCHEMBL1643497

O=C(CNC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
HTT P42858 2/20 0.61
XBP1 P17861 1/20 0.61
TSHR P16473 1/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
DPP4 P27487 1/20 0.49
CNR1 P21554 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL1642435 0.94 MAPT (0.57) MAPTHTTXBP1TSHRKMT2A
SCHEMBL1642943 0.90 LMNA (0.56) MAPTHTTXBP1TSHRKMT2A
SCHEMBL3964774 0.85 MAPT (0.82) MAPTHTTXBP1KMT2AMEN1
SCHEMBL1642960 0.84 TSHR (0.58) MAPTHTTXBP1TSHRKMT2A
SCHEMBL4012507 0.79 MAPT (0.72) MAPTHTTXBP1KMT2AMEN1
SCHEMBL1676994 0.79 MAPT (0.61) MAPTHTTXBP1TSHRKMT2A
SCHEMBL3486038 0.77 TSHR (0.59) MAPTHTTXBP1TSHRALDH1A1
SCHEMBL1677098 0.77 TP53 (0.54) MAPTHTTXBP1TSHRKMT2A
SCHEMBL2291103 0.77 KMT2A (0.56) MAPTHTTXBP1TSHRKMT2A
SCHEMBL1642489 0.77 LMNA (0.59) MAPTHTTXBP1TSHRKMT2A

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 23 patents — showing the first 20. 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
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 US disclosed
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 US disclosed
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-09-23 US disclosed
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-02-04 US disclosed
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-08-04 US disclosed
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION 2019-07-18 US disclosed
EP-3485881-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2019-05-22 EP disclosed
EP-2995303-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS President and Fellows of Harvard College (US) 2016-03-16 EP disclosed
US-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS THE GENERAL HOSPITAL CORPORATION 2012-07-05 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
WO-2011006073-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-13 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20120172429-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI- INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 MAPT 725/4885HTT 1326/4885XBP1 3436/4885
US-10729664-B2 Permanently charged sodium and calcium channel blockers as anti-inflammatory agents TRPV1, CACNA1B, ORAI1 MAPT 725/4885HTT 1326/4885XBP1 3436/4885
US-20110098281-A9 Benzenesulfonyl Compounds and the Use Thereof CACNA1A, CACNA1I, TRPV1 MAPT 4473/4885HTT 2983/4885XBP1 2634/4885
US-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 MAPT 725/4885HTT 1326/4885XBP1 3436/4885
US-20230165812-A1 NOCICEPTOR NEURONS CONTROL CANCER IMMUNOSURVEILLANCE OPRL1, MRGPRX1, RAMP1 MAPT 3141/4885HTT 2729/4885XBP1 915/4885
US-20100063030-A1 Benzenesulfonyl Compounds and the Use Thereof CACNA1A, CACNA1I, TRPV1 MAPT 4473/4885HTT 2983/4885XBP1 2634/4885
US-20190216747-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 MAPT 725/4885HTT 1326/4885XBP1 3436/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 MAPT 725/4885HTT 1326/4885XBP1 3436/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 MAPT 716/4885HTT 1262/4885XBP1 3370/4885

“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.