SCHEMBL38497

SCHEMBL38497

CC(NC(=O)c1ccc(-c2cccs2)nc1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 1.00
ROCK2 O75116 3/20 0.50
PRKG1 Q13976 2/20 0.50
ROCK1 Q13464 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
AKT1 P31749 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MMP9 P14780 1/20 0.46
PDE2A O00408 2/20 0.45
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41

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
SCHEMBL14974013 1.00 HPGDS (1.00) HPGDSROCK2PRKG1ROCK1PRKACA
SCHEMBL44435 0.78 HPGDS (0.64) HPGDSMEN1KMT2ASIRT2
SCHEMBL38498 0.75 HPGDS (0.63) HPGDSMEN1KMT2ASIRT2
SCHEMBL12121924 0.74 MMP9 (0.64) HPGDSROCK2ROCK1MEN1KMT2A
SCHEMBL1318145 0.73 HPGDS (0.60) HPGDSROCK2ROCK1MEN1KMT2A
SCHEMBL3102386 0.73 ROCK2 (0.72) HPGDSROCK2PRKG1ROCK1PRKACA
SCHEMBL1320071 0.72 MMP9 (0.58) HPGDSROCK2ROCK1MEN1KMT2A
SCHEMBL13876385 0.71 HPGDS (0.64) HPGDS
SCHEMBL1320543 0.71 MEN1 (0.64) HPGDSROCK2PRKG1ROCK1PRKACA
SCHEMBL29375958 0.70 MMP9 (0.56) HPGDSROCK2ROCK1MEN1KMT2A

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
EP-2576536-B1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS UNIV QUEENSLAND (AU) 2016-09-14 EP disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
EP-2576536-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS The University of Queensland (AU) 2013-04-10 EP disclosed
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 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-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS HPGDS 1/4885ROCK2 1448/4885PRKG1 1014/4885

“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.