SCHEMBL186124

SCHEMBL186124

CCOc1ncc(C(=O)O)cn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HCAR3 P49019 7/20 0.44
PLA2G4B P0C869 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
P4HTM Q9NXG6 4/20 0.43
TSHR P16473 1/20 0.43
P4HA1 P13674 2/20 0.42
HCAR2 Q8TDS4 2/20 0.41
MIF P14174 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 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
SCHEMBL2717056 0.82 PARP10 (0.53) MAPTTSHR
SCHEMBL5660559 0.81 MAPT (0.45) MAPTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL5658335 0.80 KDM4E (0.50) MAPTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL26704132 0.79 ALDH1A1 (0.44) MAPTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL15505042 0.79 XDH (0.50) MAPTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL15514113 0.79 HCAR3 (0.50) MAPTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL185428 0.78 KDM4E (0.52) MAPTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL186125 0.76 KMT2A (0.40) MAPTPLA2G4BCYP2C9CYP2C19P4HTM
SCHEMBL5657170 0.76 KDM4E (0.46) MAPTKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL796493 0.75 MAPT (1.00) MAPTALDH1A1HSD17B10HCAR3PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022056449-A1 COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAPT 4326/4885KDM4E 4133/4885ALDH1A1 1000/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAPT 4326/4885KDM4E 4133/4885ALDH1A1 1000/4885

“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.