SCHEMBL17582091

SCHEMBL17582091

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
RIPK1 Q13546 7/20 0.35
SCN9A Q15858 3/20 0.34
NTRK1 P04629 5/20 0.31
DPP4 P27487 2/20 0.31
TRPA1 O75762 1/20 0.31

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 0.87 SCN9A (0.35) KDM1AKDM1BRIPK1SCN9ANTRK1
SCHEMBL17582007 0.87 SCN9A (0.35) KDM1AKDM1BRIPK1SCN9ANTRK1
SCHEMBL17848842 0.75 KDM1A (0.41) KDM1AKDM1BRIPK1SCN9ANTRK1
SCHEMBL17848844 0.75 KDM1A (0.41) KDM1AKDM1BRIPK1SCN9ANTRK1
SCHEMBL24200528 0.73 KDM1A (0.45) KDM1AKDM1BRIPK1SCN9ADPP4
SCHEMBL17820748 0.72 NTRK1 (0.44) RIPK1SCN9ANTRK1
SCHEMBL17820744 0.72 NTRK1 (0.44) RIPK1SCN9ANTRK1
SCHEMBL17821025 0.72 NTRK1 (0.44) RIPK1SCN9ANTRK1
SCHEMBL23083856 0.72 NTRK1 (0.44) RIPK1SCN9ANTRK1
SCHEMBL16310710 0.70 KDM1A (0.45) KDM1AKDM1BRIPK1SCN9ANTRK1

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 KDM1A 1773/4885KDM1B 1861/4885RIPK1 4546/4885

“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.