SCHEMBL4450495

SCHEMBL4450495

OCc1ccc(B(O)O)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 5/20 0.36
MAPT P10636 3/20 0.36
CYP2A6 P11509 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 2/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
G6PC1 P35575 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ENPP2 Q13822 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL16203426 0.79 CYP2D6 (0.41) TDP1KDM4ECYP2A6MGLLHSD17B10
SCHEMBL4446207 0.79 LIPG (0.37) ALDH1A1TDP1KDM4ESMN1; SMN2MGLL
SCHEMBL18187371 0.76 KDM4E (0.42) TDP1TSHRKDM4EMGLLHSD17B10
SCHEMBL21101670 0.76 LIPG (0.41) ALDH1A1TDP1KDM4EMAPTSMN1; SMN2
SCHEMBL22852514 0.70 KDM4E (0.49) ALDH1A1KDM4ESMN1; SMN2HSD17B10NPC1
SCHEMBL24304833 0.69 ALDH1A1 (0.55) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL901053 0.69 ALDH1A1 (0.50) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL17514990 0.67 TDP1 (0.60) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL18891813 0.65 KDM4E (0.32) TDP1KDM4EMGLLHSD17B10
SCHEMBL257119 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024091473-A1 TRIAZOLOPYRIDAZINE COMPOUNDS USEFUL AS RAC1 INHIBITORS REVERE PHARMACEUTICALS (US) 2024-05-02 WO disclosed
EP-4267585-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2023-11-01 EP disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022136509-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2022-06-30 WO disclosed
US-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GILLESPIE PAUL 2009-06-18 US disclosed
US-7524870-B2 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators HOFFMANN-LA ROCHE INC. (US) 2009-04-28 US disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 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 (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-20090156635-A1 BIARYLOXYMETHYLARENECARBOXYLIC ACIDS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, GSK3A ALDH1A1 633/4885TDP1 2573/4885TSHR 2818/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A ALDH1A1 633/4885TDP1 2573/4885TSHR 2818/4885

“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.