SCHEMBL3173333

SCHEMBL3173333

CC(C)(C)OC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 2/20 0.48
ABL1 P00519 1/20 0.44
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3176942 0.81 POLB (0.53) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3170197 0.80 POLB (0.57) POLBNPC1RAB9AALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3176932 0.77 POLB (0.53) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3164309 0.74 ALDH1A1 (0.64) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19403484 0.73 HPGD (0.48) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3174823 0.70 MEN1 (0.80) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4047040 0.70 RAB9A (0.56) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2413844 0.70 HPGD (0.59) POLBALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL3179335 0.69 SMN1; SMN2 (1.00) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2212904 0.69 RAB9A (0.55) POLBNPC1RAB9AALDH1A1SMN1; 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-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2097382-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 POLB 2912/4885NPC1 2911/4885RAB9A 3124/4885

“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.