SCHEMBL18289999

SCHEMBL18289999

CC(C)(C)OC(=O)NCCOc1ccc(I)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
AAK1 Q2M2I8 2/20 0.46
PDK2 Q15119 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
EGFR P00533 1/20 0.43
ITK Q08881 1/20 0.43
IDO1 P14902 3/20 0.41
AXL P30530 1/20 0.41
CYP1A1 P04798 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP3A43 Q9HB55 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
SCHEMBL7428314 0.87 SCN9A (0.53) SCN9ACA12CA1CA2CA9
SCHEMBL21601218 0.85 IDO1 (0.53) SCN9ACA12CA1CA2CA9
SCHEMBL15036902 0.85 CA12 (0.51) SCN9ACA12CA1CA2CA9
SCHEMBL926919 0.84 RAB9A (0.49) SCN9ACA12CA1CA2CA9
SCHEMBL18254559 0.84 RAB9A (0.48) SCN9ACA12CA1CA2CA9
SCHEMBL16709793 0.83 RAB9A (0.47) SCN9ACA12CA1CA2CA9
SCHEMBL926197 0.82 SCN9A (0.46) SCN9ACA12CA1CA2CA9
SCHEMBL7425171 0.82 RAB9A (0.63) SCN9ACA12CA1CA2CA9
SCHEMBL18260991 0.81 RAB9A (0.43) RAB9AKMT2A
SCHEMBL25457307 0.80 CA12 (0.46) SCN9ACA12CA1CA2CA9

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
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 EP disclosed
EP-3981766-A1 INDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Eisai R&D Management Co., Ltd. (JP) 2022-04-13 EP disclosed
US-10851065-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-12-01 US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 US disclosed
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-10 US disclosed
US-9796683-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-24 US disclosed
US-9796683-B2 Tetrasubstituted alkene compounds and their use EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-10-24 US disclosed
WO-2016196346-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-12-08 WO disclosed
WO-2016196337-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-12-08 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-10851065-B2 Tetrasubstituted alkene compounds and their use BRCA1, ESR2, ESR1 SCN9A 1757/4885CA12 2129/4885CA1 3739/4885
US-20180127378-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 SCN9A 1757/4885CA12 2129/4885CA1 3739/4885

“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.