SCHEMBL3544909

SCHEMBL3544909

COC(=O)C(C)(C)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
DHFR P00374 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA1 P00915 6/20 0.43
CA2 P00918 6/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP2C19 P33261 2/20 0.42
PKM P14618 1/20 0.42
NT5E P21589 1/20 0.42
CA12 O43570 5/20 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
SCHEMBL26966928 0.84 ELANE (0.50) SMN1; SMN2CA1CA2ALDH1A1PKM
SCHEMBL349736 0.83 CNR2 (0.52) F2PRSS1PRSS2PRSS3CA1
SCHEMBL23049680 0.80 CA2 (0.44) TDP1SMN1; SMN2CA2MMP1MMP9
SCHEMBL3549135 0.79 CYP2C19 (0.56) F2PRSS1PRSS2PRSS3TDP1
SCHEMBL3539096 0.77 KDM4E (0.50) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL3544009 0.76 CNR2 (0.44) SMN1; SMN2CA1CA2ALDH1A1CA12
SCHEMBL2478666 0.73 ALDH1A1 (0.61) F2PRSS1PRSS2PRSS3TSHR
SCHEMBL9315696 0.71 TSHR (0.53) F2PRSS1PRSS2PRSS3TSHR
SCHEMBL20535103 0.71 NR1H2 (0.44) TSHRSMN1; SMN2PHGDHMEN1CYP1A2
SCHEMBL22615746 0.71 NR1H2 (0.47) PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (2 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 F2 3040/4885PRSS1 3481/4885PRSS2 3796/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 F2 2933/4885PRSS1 3156/4885PRSS2 3486/4885

“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.