SCHEMBL2848918

SCHEMBL2848918

Nc1ccc2c(C(=O)O)csc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 2/20 0.47
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
MCL1 Q07820 2/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
APEX1 P27695 1/20 0.47
BLM P54132 1/20 0.47
TNF P01375 1/20 0.47
HSPD1 P10809 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL11948474 0.86 MAPT (0.40) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL2848485 0.86 MAPT (0.47) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL2851109 0.80 HDAC3 (0.44) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL31564131 0.80 TBXAS1 (0.48) MAPTALDH1A1KDM4ETHRBTDP1
SCHEMBL6130739 0.80 TBXAS1 (0.48) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL6130706 0.79 BCKDK (0.49) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL6130768 0.79 TBXAS1 (0.50) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL498796 0.79 TBXAS1 (0.47) ALDH1A1KMT2AKDM4EMEN1TDP1
Hydrochloric Acid SCHEMBL29800062 0.79 TBXAS1 (0.47) MAPTALDH1A1KMT2AMEN1TDP1
SCHEMBL1578019 0.78 HTR7 (0.44) MAPTALDH1A1HPGDCYP2C9HSD17B10

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-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 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-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MAPT 911/4885ALDH1A1 1212/4885KMT2A 2413/4885

“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.