SCHEMBL3833571

SCHEMBL3833571

Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2O)cc1C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.60
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.45
HKDC1 Q2TB90 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL3832218 0.85 GRM5 (0.61) GRM5ALDH1A1GAAPKMTP53
SCHEMBL1346789 0.85 GRM5 (0.63) GRM5ALDH1A1GAATP53MAPT
SCHEMBL15307431 0.82 GRM5 (0.58) GRM5ALDH1A1GAAPKMTP53
SCHEMBL3831325 0.76 GRM5 (1.00) GRM5ALDH1A1TP53LMNATHRB
SCHEMBL17962942 0.76 GRM5 (0.51) GRM5ALDH1A1GAAPKMTP53
SCHEMBL28057136 0.75 ERN1 (0.51) GRM5GAAPKMTP53MAPT
SCHEMBL3832192 0.75 GRM5 (0.77) GRM5ALDH1A1TP53LMNAMAPT
Hydrochloric Acid SCHEMBL3834927 0.75 GRM5 (0.98) GRM5ALDH1A1TP53LMNATHRB
Hydrochloric Acid SCHEMBL3830982 0.74 GRM5 (0.75) GRM5ALDH1A1TP53LMNAMAPT
SCHEMBL10451409 0.73 ALDH1A1 (0.59) GRM5ALDH1A1GAAPKMTP53

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-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2009-10-29 US disclosed
EP-1962849-B1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT (HU) 2009-09-30 EP disclosed
CN-101346141-A Quinoline derivatives useful in the treatment of MGLUR5 receptor-mediated disorders RICHTER GEDEON NYRT (HU) 2009-01-14 CN disclosed
EP-1962849-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS Richter Gedeon NYRT (HU) 2008-09-03 EP disclosed
WO-2007072093-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS RICHTER GEDEON NYRT. (HU) 2007-06-28 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 (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-20090270371-A1 QUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF MGLUR5 RECEPTOR-MEDIATED DISORDERS GRM5, GRIK5, GRM1 GRM5 1/4885ALDH1A1 2356/4885GAA 1812/4885

“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.