SCHEMBL4940739

SCHEMBL4940739

Nc1ccc2sc(COC(=O)O)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CLK1 P49759 1/20 0.48
KMT2A Q03164 2/20 0.45
HDAC6 Q9UBN7 3/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL4940734 0.90 CLK1 (0.52) CYP1A2CYP2C19CLK1KMT2AHDAC6
SCHEMBL1450749 0.77 HDAC6 (0.55) CLK1KMT2AHDAC6MAPTALDH1A1
SCHEMBL28366866 0.75 CYP1A2 (0.50) CYP1A2CYP2C19KMT2AHDAC6MAPT
SCHEMBL8304545 0.75 KMT2A (0.54) CYP1A2CYP2C19KMT2AMAPTALDH1A1
SCHEMBL3250178 0.75 LOXL2 (0.67) CLK1KMT2AHDAC6MAPTALDH1A1
SCHEMBL5226068 0.73 TRPV1 (0.52) CYP1A2CYP2C19
SCHEMBL20710415 0.73 MAPT (0.65) CYP1A2CYP2C19KMT2AMAPTALDH1A1
SCHEMBL5232722 0.72 CYP1A2 (0.38) CYP1A2CYP2C19KMT2AHDAC6MAPT
SCHEMBL5227903 0.72 CYP1A2 (0.38) CYP1A2CYP2C19KMT2AHDAC6MAPT
SCHEMBL3190308 0.72 KDM4E (0.51) CYP1A2CYP2C19CLK1KMT2AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114041-A1 Benzothiazolesulfonamides ASTRAZENECA AB (SE) 2008-05-15 US claimed
EP-1833808-A1 NEW BENZOTHIAZOLESULFONAMIDES AstraZeneca AB (SE) 2007-09-19 EP claimed
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US claimed
WO-2006068593-A1 NEW BENZOTHIAZOLESULFONAMIDES ASTRAZENECA AB (SE) 2006-06-29 WO claimed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP claimed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 WO claimed
US-20080114041-A1 Benzothiazolesulfonamides ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1833808-A1 NEW BENZOTHIAZOLESULFONAMIDES AstraZeneca AB (SE) 2007-09-19 EP disclosed
EP-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 US disclosed
WO-2006068593-A1 NEW BENZOTHIAZOLESULFONAMIDES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 EP disclosed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 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-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) AVPR1A, AVPR2, TRPV1 CYP1A2 745/4885CYP2C19 594/4885CLK1 4223/4885
US-20080114041-A1 Benzothiazolesulfonamides SULT1E1, TST, SULT1A1 CYP1A2 467/4885CYP2C19 164/4885CLK1 4417/4885

“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.