SCHEMBL22013223

SCHEMBL22013223

CC(C)(C)S(=O)(=O)N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.44
RIPK1 Q13546 7/20 0.41
KDM1A O60341 2/20 0.37
KDM1B Q8NB78 1/20 0.37
DPP4 P27487 6/20 0.36
NTRK1 P04629 1/20 0.36
SCN9A Q15858 2/20 0.35

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
SCHEMBL29200705 0.87 RIPK1 (0.38) RIPK1KDM1AKDM1BDPP4NTRK1
SCHEMBL22013225 0.87 RIPK1 (0.38) RIPK1KDM1AKDM1BDPP4NTRK1
SCHEMBL23825285 0.87 RIPK1 (0.38) RIPK1KDM1AKDM1BDPP4NTRK1
SCHEMBL28623840 0.77 DPP4 (0.38) RIPK1KDM1AKDM1BDPP4NTRK1
SCHEMBL28623843 0.77 DPP4 (0.38) RIPK1KDM1AKDM1BDPP4NTRK1
SCHEMBL17848844 0.77 KDM1A (0.41) TRPA1RIPK1KDM1AKDM1BDPP4
SCHEMBL17848842 0.77 KDM1A (0.41) TRPA1RIPK1KDM1AKDM1BDPP4
SCHEMBL28613335 0.76 TRPA1 (0.45) TRPA1RIPK1KDM1AKDM1BDPP4
SCHEMBL28613334 0.76 TRPA1 (0.45) TRPA1RIPK1KDM1AKDM1BDPP4
SCHEMBL31525031 0.75 TRPA1 (0.37) TRPA1RIPK1DPP4

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-20220144827-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-05-12 US disclosed
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 US disclosed
EP-3919490-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-12-08 EP disclosed
EP-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 EP disclosed
WO-2021098745-A1 PREPARATION AND APPLICATION OF A CLASS OF PROTEIN RECEPTOR KINASE INHIBITORS 上海轶诺药业有限公司 2021-05-27 WO disclosed
CN-111362946-A Pharmaceutical compound and composition and application thereof 上海度德医药科技有限公司 2020-07-03 CN disclosed
WO-2020114465-A1 PREPARATION AND APPLICATION OF HETEROAROMATIC IMINAZOLE COMPOUND 上海轶诺药业有限公司 2020-06-11 WO disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 WO disclosed
WO-2020098720-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 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 (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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 TRPA1 4156/4885RIPK1 115/4885KDM1A 4285/4885
US-20220144827-A1 FIVE-AND-SIX-MEMBERED HETEROCYCLIC COMPOUND AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, GRK3, ERBB2 TRPA1 3949/4885RIPK1 110/4885KDM1A 4101/4885

“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.