SCHEMBL20577702

SCHEMBL20577702

COc1ncc(C#N)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.51
KIF11 P52732 1/20 0.47
PGR P06401 1/20 0.45
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
HPGDS O60760 1/20 0.42
LRRK2 Q5S007 1/20 0.40
PTGS2 P35354 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CYP11B2 P19099 1/20 0.40
SQOR Q9Y6N5 3/20 0.40
RORC P51449 2/20 0.39

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
SCHEMBL29615607 1.00 NR3C1 (0.51) NR3C1KIF11PGRKDM1AMAOB
SCHEMBL20577824 0.84 NR3C1 (0.41) NR3C1KIF11PGRKDM1AMAOB
SCHEMBL29615396 0.84 NR3C1 (0.41) NR3C1KIF11PGRKDM1AMAOB
SCHEMBL16894230 0.79 KDM1A (0.56) KIF11PGRKDM1APTGDR2
SCHEMBL2004916 0.78 RORC (0.46) NR3C1PGRKDM1AHPGDSRORC
SCHEMBL20577700 0.77 KIF11 (0.45) KIF11PGRCYP11B2
SCHEMBL29615293 0.77 KIF11 (0.45) KIF11PGRCYP11B2
SCHEMBL2458921 0.76 PTGS2 (0.45) MAOBPTGDR2PTGS2ALOX5APFEN1
SCHEMBL2707348 0.75 LRRK2 (0.43) NR3C1KIF11PGRHPGDSLRRK2
SCHEMBL16554418 0.75 MAP4K4 (0.52) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602807-B Heterocyclic sulfonamide derivatives and drugs containing the same EA制药株式会社 2022-05-13 CN disclosed
EP-3412664-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME EA PHARMA CO LTD (JP) 2022-03-30 EP disclosed
US-10584116-B2 Heterocyclic sulfonamide derivative and medicine containing same EA PHARMA CO., LTD. (JP) 2020-03-10 US disclosed
US-20190023699-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME EA PHARMA CO., LTD. (JP) 2019-01-24 US disclosed
EP-3412664-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME EA Pharma Co., Ltd. (JP) 2018-12-12 EP 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-20190023699-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE CONTAINING SAME TRPA1, TRPV1, TRPV2 NR3C1 1669/4885KIF11 4552/4885PGR 3133/4885
US-10584116-B2 Heterocyclic sulfonamide derivative and medicine containing same TRPA1, TRPV1, TRPV2 NR3C1 1669/4885KIF11 4552/4885PGR 3133/4885

“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.