Sugi Predict

Sugi Predict / Compounds / SCHEMBL16635272

SCHEMBL16635272

SCHEMBL16635272

CCOC(=O)c1cn(-c2cnc(C(F)(F)F)nc2)nc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 5/20 0.48
▸ NFKB2 Q00653 5/20 0.48
▸ RELA Q04206 5/20 0.48
▸ FOS P01100 4/20 0.48
▸ JUN P05412 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.43
▸ TRPA1 O75762 2/20 0.42
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CA12 O43570 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL24487886 0.86 NFKB1 (0.51) NFKB1NFKB2RELAFOSJUN
SCHEMBL16635675 0.86 TRPA1 (0.47) NFKB1NFKB2RELATRPA1NPC1
SCHEMBL19795577 0.85 JUN (0.50) NFKB1NFKB2RELAFOSJUN
SCHEMBL16635488 0.84 TRPA1 (0.43) TRPA1MAPTLMNAALDH1A1
SCHEMBL17973850 0.84 TRPA1 (0.43) NFKB1NFKB2RELAFOSJUN
SCHEMBL16635806 0.83 NPSR1 (0.48) NFKB1NFKB2RELAKDM4ETRPA1
SCHEMBL16635561 0.83 TRPA1 (0.43) KDM4ETRPA1CA12CA9ALDH1A1
SCHEMBL17987108 0.81 CA12 (0.42) NFKB1NFKB2RELAKDM4ENPC1
SCHEMBL16634977 0.81 TRPA1 (0.42) NFKB1NFKB2RELAFOSJUN
SCHEMBL718931 0.80 CA12 (0.51) NFKB1NFKB2RELAKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 — — EP disclosed
EP-3487853-B1 BICYCLIC PROLINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-06-08 — — EP disclosed
CN-109476640-B Bicyclic proline compounds 豪夫迈·罗氏有限公司 2022-02-25 — — CN disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 — — US disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 — — US disclosed
CN-107922392-B 1- (hetero) arylsulfonyl- (pyrrolidine or piperidine) -2-carboxamide derivatives and uses thereof 豪夫迈·罗氏有限公司 2020-07-21 — — CN disclosed
US-10597383-B2 Bicyclic proline compounds GENENTECH, INC. (US) 2020-03-24 — — US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 — — US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 — — US disclosed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 — — EP disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 — — US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 — — US disclosed
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2016-09-15 — — US disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 — — WO disclosed
WO-2016128529-A1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2016-08-18 — — WO disclosed
EP-3055302-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-08-17 — — EP disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 — — US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 — — US disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 — — WO disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 — — 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 (5 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NFKB1 1517/4885NFKB2 1563/4885RELA 1247/4885
US-10597383-B2 Bicyclic proline compounds TRPA1, TRPV1, TRPV5 NFKB1 744/4885NFKB2 1243/4885RELA 1224/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 NFKB1 1517/4885NFKB2 1563/4885RELA 1247/4885
US-20160264567-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS TRPA1, TRPV1, TRPV5 NFKB1 1648/4885NFKB2 1681/4885RELA 1395/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 NFKB1 1517/4885NFKB2 1563/4885RELA 1247/4885

“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.