SCHEMBL14716099

SCHEMBL14716099

CCCS(=O)(=O)N(c1cc(F)c(F)c(C(=O)c2ccc3nccnc3c2)c1F)S(=O)(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 3/20 0.34
AHR P35869 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
HDAC3 O15379 1/20 0.33

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
SCHEMBL16505689 0.89 BRAF (0.38) BRAFRAB9ANPC1ALDH1A1MAPT
SCHEMBL15622655 0.89 DOT1L (0.45) BRAFRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL14716175 0.87 BRAF (0.33) BRAFRAB9ANPC1ALDH1A1
SCHEMBL15630185 0.84 BRAF (0.43) BRAF
SCHEMBL14715926 0.82 HPGD (0.44) BRAFRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL14715976 0.81 CDK6 (0.39) BRAFNPC1HPGD
SCHEMBL29623943 0.81 CDK6 (0.39) BRAFNPC1HPGD
SCHEMBL19034686 0.81 BRAF (0.41) BRAF
SCHEMBL14715944 0.80 BRAF (0.38) BRAFRAB9ANPC1ALDH1A1MAPT
SCHEMBL14741373 0.80 BRAF (0.34) BRAFRAB9ANPC1ALDH1A1MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2020-12-17 US disclosed
US-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2020-12-17 US disclosed
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2020-02-18 US disclosed
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2020-02-18 US disclosed
EP-2747767-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2019-02-20 EP disclosed
EP-2747767-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA INC (US) 2019-02-20 EP disclosed
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2018-11-27 US disclosed
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2017-11-30 US disclosed
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2017-11-30 US disclosed
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2017-11-30 US disclosed
US-9572808-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2017-02-21 US disclosed
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2016-10-20 US disclosed
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2016-10-20 US disclosed
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER NEUPHARMA, INC. 2016-10-20 US disclosed
US-9295671-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2016-03-29 US disclosed
US-9295671-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2016-03-29 US disclosed
US-9295671-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer NEUPHARMA, INC. (US) 2016-03-29 US disclosed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 US disclosed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 US disclosed
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods NEUPHARMA, INC. (US) 2013-02-28 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 (6 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-20200390763-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 BRAF 2/4885RAB9A 1846/4885NPC1 4412/4885
US-10561652-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, BRAF, CHEK1 BRAF 2/4885RAB9A 1846/4885NPC1 4412/4885
US-20160303118-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 BRAF 2/4885RAB9A 1846/4885NPC1 4412/4885
US-20170340630-A1 BENZENESULFONAMIDE DERIVATIVES OF QUINOXALINE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN METHODS FOR TREATING CANCER PDXK, BRAF, CHEK1 BRAF 2/4885RAB9A 1846/4885NPC1 4412/4885
US-10137125-B2 Benzenesulfonamide derivatives of quinoxaline, pharmaceutical compositions thereof, and their use in methods for treating cancer PDXK, CHEK1, CHEK2 BRAF 4/4885RAB9A 2163/4885NPC1 4671/4885
US-20130053384-A1 Certain Chemical Entities, Compositions, and Methods BRAF, PIK3CA, PLK1 BRAF 1/4885RAB9A 2310/4885NPC1 2126/4885

“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.