SCHEMBL6362829

SCHEMBL6362829

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccc(OCCCN2CCOCC2)cc1)C(=O)NC1c2ccccc2CC1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 10/20 0.50
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
APP P05067 1/20 0.44
CYP3A4 P08684 2/20 0.43
ABCC3 O15438 1/20 0.43
ABCB11 O95342 1/20 0.43
ABCB1 P08183 1/20 0.43
TACR2 P21452 1/20 0.43
TBXAS1 P24557 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
SCHEMBL6362831 1.00 VIPR2 (0.50) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL6362832 1.00 VIPR2 (0.50) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL29624083 0.97 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7362961 0.97 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL6366453 0.97 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL6366451 0.97 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7336675 0.97 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL6366449 0.97 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7329727 0.97 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8
SCHEMBL7329719 0.97 VIPR2 (0.51) VIPR2MMP1MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US claimed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US 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-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 VIPR2 903/4885MMP1 141/4885MMP2 201/4885

“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.