SCHEMBL38259

SCHEMBL38259

NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2cccs2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 16/20 1.00
SIRT2 Q8IXJ6 1/20 0.48
HSPA1A P0DMV8 1/20 0.47
HSPA5 P11021 1/20 0.47
HSPA9 P38646 1/20 0.47
HSPA2 P54652 1/20 0.47
ROCK2 O75116 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL38227 0.78 HPGDS (1.00) HPGDSROCK2
SCHEMBL44435 0.78 HPGDS (0.64) HPGDSSIRT2
SCHEMBL17244326 0.75 HPGDS (0.71) HPGDSCA12CA1CA9
SCHEMBL20277616 0.75 HPGDS (0.71) HPGDSCA12CA1CA9
SCHEMBL12320657 0.74 HPGDS (0.64) HPGDSROCK2CA12CA1CA9
Hydrochloric Acid SCHEMBL30685194 0.72 HPGDS (0.56) HPGDSSIRT2
SCHEMBL14974164 0.72 HPGDS (1.00) HPGDS
SCHEMBL17696754 0.72 HPGDS (0.65) HPGDSCA12CA1CA9
SCHEMBL3200853 0.72 HPGDS (0.67) HPGDS
SCHEMBL2105972 0.71 HPGDS (0.65) HPGDSCA12CA1CA9

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 1/4885SIRT2 1135/4885HSPA1A 2012/4885

“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.