SCHEMBL2632720

SCHEMBL2632720

CCC(CC)c1cc(F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
PKM P14618 1/20 0.37
PDE2A O00408 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHR1 P34998 1/20 0.33
ADRA2A P08913 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
SCHEMBL22932487 0.84 NR1I2 (0.38) KCNH2CES2CES1PSEN1PSEN2
SCHEMBL20645867 0.84 PSEN1 (0.38) KCNH2CES2CES1PSEN1PSEN2
SCHEMBL19697077 0.83 MC4R (0.42) KCNH2CES2CES1CA3CA6
SCHEMBL10247809 0.81 PSEN1 (0.44) KCNH2CES2CES1PSEN1PSEN2
SCHEMBL13637255 0.81 KCNH2 (0.38) KCNH2PKMCRHR1HTR2A
SCHEMBL4064040 0.81 PSEN1 (0.44) KCNH2CES2CES1PSEN1PSEN2
SCHEMBL955338 0.79 CES2 (0.40) KCNH2CES2CES1PSEN1PSEN2
SCHEMBL953919 0.79 PDE2A (0.50) KCNH2CES2CES1PSEN1PSEN2
SCHEMBL26921661 0.79 DPP4 (0.40) CES2CES1PSEN1PSEN2APH1B
SCHEMBL16952730 0.79 CES2 (0.40) KCNH2CES2CES1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-07-13 US disclosed
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-03-04 US disclosed
US-10611740-B2 Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2020-04-07 US disclosed
US-20190135768-A1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-09 US disclosed
US-9840481-B2 Allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 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-20190135768-A1 ARYL DIHYDRO-2H-BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORB, RORA, RORC KCNH2 3607/4885CES2 3323/4885CES1 1506/4885
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC KCNH2 3208/4885CES2 3817/4885CES1 1158/4885
US-10611740-B2 Aryl dihydro-2H-benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC KCNH2 3274/4885CES2 3805/4885CES1 1205/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 KCNH2 10/4885CES2 983/4885CES1 1973/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 KCNH2 1082/4885CES2 1434/4885CES1 317/4885
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORB, RORA, RORC KCNH2 3122/4885CES2 3648/4885CES1 1199/4885

“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.