SCHEMBL20577700

SCHEMBL20577700

COc1ncc(-c2ccc(C(F)(F)F)cc2)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.45
AR P10275 3/20 0.45
PGR P06401 2/20 0.45
PIK3CA P42336 3/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
AAK1 Q2M2I8 1/20 0.42
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
CNR1 P21554 1/20 0.40
DGAT1 O75907 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL29615293 1.00 KIF11 (0.45) KIF11ARPGRPIK3CACYP11B1
SCHEMBL29615348 0.85 SCN9A (0.39) KIF11ARPGRPIK3CAAAK1
SCHEMBL20577865 0.85 SCN9A (0.39) KIF11ARPGRPIK3CAAAK1
SCHEMBL7271245 0.82 AURKA (0.60) PIK3CAAAK1AURKATTKAURKB
SCHEMBL10460598 0.82 CYP1A2 (0.40) ARPGRCYP11B1CYP11B2ALDH1A1
SCHEMBL3967559 0.78 KIF11 (0.49) KIF11ARCYP11B1CYP11B2DGAT1
SCHEMBL20577702 0.77 NR3C1 (0.51) KIF11PGRCYP11B2
SCHEMBL29615607 0.77 NR3C1 (0.51) KIF11PGRCYP11B2
SCHEMBL12427758 0.75 ERN1 (0.42) KIF11PIK3CAAURKATTKAURKB
SCHEMBL12427700 0.75 MAP4K4 (0.42) PIK3CAAURKATTKAURKBINCENP

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 KIF11 4552/4885AR 887/4885PGR 3133/4885
US-10584116-B2 Heterocyclic sulfonamide derivative and medicine containing same TRPA1, TRPV1, TRPV2 KIF11 4552/4885AR 887/4885PGR 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.