SCHEMBL5953041

SCHEMBL5953041

CC(C)Cc1ccc2c(c1OS(=O)(=O)C(F)(F)F)CC(C(F)(F)F)C2=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
DRD2 P14416 3/20 0.30
HTR1D P28221 2/20 0.30
DRD3 P35462 2/20 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
SCHEMBL5953160 0.71 ACHE (0.45)
SCHEMBL23925909 0.69 ATM (0.33) HTR1D
SCHEMBL5951531 0.66 DRD2 (0.32) DRD2HTR1DDRD3
SCHEMBL5951535 0.65 DRD2 (0.33) DRD2HTR1DDRD3
SCHEMBL29414133 0.64 ATM (0.43) DRD2HTR1DDRD3
SCHEMBL5559026 0.64 ATM (0.43) DRD2HTR1DDRD3
SCHEMBL4535172 0.62 CXCR2 (0.48) DRD2DRD3
SCHEMBL5952864 0.62 ACHE (0.31) DRD2HTR1DDRD3
SCHEMBL2491325 0.61 ATM (0.38) ELANECTSGDRD2DRD3
SCHEMBL4773423 0.61 ATM (0.46) DRD2DRD3

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
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 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 (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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ELANE 3425/4885CTSG 4568/4885DRD2 1803/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ELANE 3444/4885CTSG 4653/4885DRD2 1860/4885

“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.