SCHEMBL3984042

SCHEMBL3984042

O=C(c1cccs1)N(CCCO)c1nc(-c2cc(-c3ccccc3)no2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
TSHR P16473 6/20 0.55
LMNA P02545 2/20 0.55
HSD17B10 Q99714 2/20 0.55
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 6/20 0.48
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 5/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
GSTO1 P78417 2/20 0.42
L3MBTL1 Q9Y468 2/20 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
SCHEMBL3976303 0.88 SMN1; SMN2 (0.60) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3979549 0.87 SMN1; SMN2 (0.59) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3973655 0.86 SMN1; SMN2 (0.58) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2826602 0.85 SMN1; SMN2 (0.57) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2827567 0.84 SMN1; SMN2 (0.56) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL2828631 0.83 SMN1; SMN2 (0.55) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3972793 0.83 SMN1; SMN2 (0.57) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3977901 0.82 SMN1; SMN2 (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL14029809 0.82 RAB9A (0.62) SMN1; SMN2TSHRLMNAHSD17B10OPRM1
SCHEMBL3975585 0.81 TSHR (0.51) SMN1; SMN2TSHRLMNAHSD17B10OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057157-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF Genentech, Inc. (US) 2009-05-13 EP disclosed
US-20080242709-A1 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. 2008-10-02 US disclosed
US-20080242709-A1 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. 2008-10-02 US disclosed
US-20080242709-A1 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. 2008-10-02 US disclosed
WO-2008022002-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2008-02-21 WO disclosed
WO-2008022002-A2 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2008-02-21 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-20080242709-A1 2-AMIDO-4-ISOXAZOLYL THIAZOLE COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK SMN1; SMN2 4150/4885TSHR 3042/4885LMNA 4072/4885

“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.