SCHEMBL2074867

SCHEMBL2074867

NC(=O)C(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)NC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
CA2 P00918 3/20 0.48
HTR6 P50406 1/20 0.47
ITGB1 P05556 3/20 0.46
ITGA4 P13612 3/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 3/20 0.46
ADAMTS4 O75173 1/20 0.46
HPGDS O60760 2/20 0.45

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
SCHEMBL9109075 0.86 HPGDS (0.56) HPGDS
SCHEMBL26909780 0.84 HPGDS (0.58) HPGDS
SCHEMBL4348297 0.84 HPGDS (0.58) HPGDS
SCHEMBL2073423 0.82 REN (0.57) CA2
SCHEMBL2073421 0.82 REN (0.57) CA2
SCHEMBL28097066 0.80 HPGDS (0.47) HPGDS
SCHEMBL2072326 0.78 SLC7A5 (0.53) CA1CA12CA2HTR6
SCHEMBL2072328 0.78 SLC7A5 (0.53) CA1CA12CA2HTR6
SCHEMBL18262572 0.78 CA2 (0.49) CA2MMP2HPGDS
SCHEMBL298697 0.78 FPR2 (0.48) HPGDS

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-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CA1 3875/4885CA12 2463/4885CA9 2340/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CA1 3875/4885CA12 2463/4885CA9 2340/4885

“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.