SCHEMBL17582007

SCHEMBL17582007

CC(C)(C)OOSN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.35
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
RIPK1 Q13546 4/20 0.32
NTRK1 P04629 7/20 0.31
JAK2 O60674 3/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL17582177 1.00 SCN9A (0.35) SCN9AKDM1AKDM1BRIPK1NTRK1
SCHEMBL17582091 0.87 KDM1A (0.35) SCN9AKDM1AKDM1BRIPK1NTRK1
SCHEMBL17848946 0.76 KDM1A (0.41) SCN9AKDM1AKDM1BRIPK1NTRK1
SCHEMBL17821020 0.74 CYP1A2 (0.44) SCN9ANTRK1JAK2
SCHEMBL17821019 0.74 CYP1A2 (0.44) SCN9ANTRK1JAK2
SCHEMBL18588910 0.74 CYP1A2 (0.44) SCN9ANTRK1JAK2
SCHEMBL18588911 0.74 CYP1A2 (0.44) SCN9ANTRK1JAK2
Tert-Butyl Formate SCHEMBL28305223 0.73 SCN9A (0.36) SCN9AKDM1AKDM1BRIPK1NTRK1
SCHEMBL23825285 0.72 RIPK1 (0.38) SCN9AKDM1AKDM1BRIPK1NTRK1
SCHEMBL22013225 0.72 RIPK1 (0.38) SCN9AKDM1AKDM1BRIPK1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783527-B2 Indazole ureas and method of use ABBVIE INC. (US) 2017-10-10 US disclosed
EP-3194404-A1 INDAZOLE UREAS AND METHOD OF USE AbbVie Inc. (US) 2017-07-26 EP disclosed
WO-2016044386-A1 INDAZOLE UREAS AND METHOD OF USE ABBVIE INC. (US) 2016-03-24 WO disclosed
US-20160075692-A1 Indazole Ureas and Method of Use ABBVIE INC. (US) 2016-03-17 US 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 (1 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-20160075692-A1 Indazole Ureas and Method of Use SCN8A, SCN7A, SCN3A SCN9A 12/4885KDM1A 1773/4885KDM1B 1861/4885

“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.