SCHEMBL17629883

SCHEMBL17629883

CS(=O)(=O)c1ccc(NN)c(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
METAP2 P50579 6/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.42
RBP4 P02753 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
ACLY P53396 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3102462 0.84 CA2 (0.59) ALDH1A1CYP2C9CYP2C19CA1CA2
SCHEMBL5193607 0.84 ALDH1A1 (0.59) LMNAMETAP2ALDH1A1CA1CA2
SCHEMBL16690808 0.83 LMNA (0.61) LMNAMETAP2ALDH1A1CYP2C9RBP4
SCHEMBL27719042 0.82 LMNA (0.55) LMNAMETAP2ALDH1A1CYP2C9RBP4
SCHEMBL4936944 0.80 LMNA (0.53) LMNAMETAP2ALDH1A1KDM4EHPGD
SCHEMBL8962352 0.80 LMNA (0.70) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2512589 0.79 LMNA (0.64) LMNAALDH1A1CYP3A4KDM4EHPGD
SCHEMBL4419627 0.77 ALDH1A1 (0.68) LMNAALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL30868512 0.77 ALDH1A1 (0.68) LMNAALDH1A1CYP2C9CYP3A4CYP2C19
SCHEMBL6807006 0.77 CA1 (0.44) LMNAALDH1A1CA1CA2CA9

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-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2019-05-23 US disclosed
US-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2019-03-05 US disclosed
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2017-10-26 US disclosed
EP-3197897-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP IIMETABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2017-08-02 EP disclosed
WO-2016046404-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP IIMETABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2016-03-31 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 (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-10221179-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors GRM1, GRM2, GRIN1 LMNA 4801/4885METAP2 4092/4885ALDH1A1 2693/4885
US-20170305913-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 LMNA 4801/4885METAP2 4092/4885ALDH1A1 2693/4885
US-20190152979-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRM2, GRIN1 LMNA 4754/4885METAP2 3807/4885ALDH1A1 2730/4885

“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.