SCHEMBL16616435

SCHEMBL16616435

CS(=O)(=O)c1cc(Cl)ccc1CO

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 16/20 0.47
PSEN2 P49810 16/20 0.47
APH1B Q8WW43 16/20 0.47
NCSTN Q92542 16/20 0.47
APH1A Q96BI3 16/20 0.47
PSENEN Q9NZ42 16/20 0.47
MAPT P10636 1/20 0.42
CCR2 P41597 1/20 0.41

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
SCHEMBL29070090 0.86 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1039443 0.85 ADRA1D (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15713787 0.85 CCR2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1806035 0.83 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1139918 0.81 CCR2 (0.41) CCR2
SCHEMBL1806672 0.81 CA1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30122009 0.81 CCR2 (0.41) CCR2
SCHEMBL30122107 0.81 CCR2 (0.41) CCR2
SCHEMBL3922915 0.81 CCR2 (0.41) CCR2
SCHEMBL29070101 0.81 ALDH1A1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20170045820-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION AND METHOD FOR FORMING RESIST PATTERN USING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-16 US disclosed
US-20170045820-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION AND METHOD FOR FORMING RESIST PATTERN USING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-16 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 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 (3 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-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 PSEN1 3433/4885PSEN2 4256/4885APH1B 132/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 PSEN1 3200/4885PSEN2 4075/4885APH1B 75/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A PSEN1 3259/4885PSEN2 3899/4885APH1B 420/4885

“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.