SCHEMBL5061069

SCHEMBL5061069

COC(=O)c1ccsc1NC(=O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.86
NPC1 O15118 3/20 0.86
HCAR2 Q8TDS4 4/20 0.65
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
LTB4R Q15722 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HPGD P15428 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
SCHEMBL5066827 0.87 HCAR2 (0.83) RAB9ANPC1HCAR2SMN1; SMN2POLB
SCHEMBL5301445 0.86 RAB9A (0.70) RAB9ANPC1HCAR2KDM4ESMN1; SMN2
SCHEMBL5307210 0.85 NPC1 (0.69) RAB9ANPC1HCAR2KDM4ESMN1; SMN2
SCHEMBL5296521 0.85 NPC1 (0.77) RAB9ANPC1HCAR2KDM4ESMN1; SMN2
SCHEMBL5303546 0.82 MAPK8 (0.66) RAB9ANPC1HCAR2KDM4ESMN1; SMN2
SCHEMBL5065123 0.81 NPC1 (0.64) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL5308463 0.80 HCAR2 (0.64) RAB9ANPC1HCAR2SMN1; SMN2POLB
SCHEMBL5061223 0.80 KDM4E (0.62) RAB9ANPC1HCAR2KDM4ELTB4R
SCHEMBL23413572 0.79 NPC1 (0.76) RAB9ANPC1KDM4ESMN1; SMN2POLB
SCHEMBL5300923 0.78 HCAR2 (0.65) RAB9ANPC1HCAR2KDM4ESMN1; SMN2

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-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
US-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
US-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists SMITHKLINE BEECHAM CORPORATION 2008-08-21 US disclosed
EP-1853579-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-14 EP disclosed
WO-2006085113-A2 2-SUBSTITUTED 5-MEMBERED HETEROARYL CARBOXYLATES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-17 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-20080200468-A1 2-Substituted 5-Membered Heteroaryl Carboxylates as Hm74a Receptor Agonists GPR84, GPR88, HCAR1 RAB9A 565/4885NPC1 1995/4885HCAR2 8/4885

“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.