SCHEMBL5124079

SCHEMBL5124079

O=C(Nc1cscc1-c1nc(O)c(O)c(C(=O)NCCc2ccccc2)n1)NS(=O)(=O)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PTGER4 P35408 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 1/20 0.36
CCKAR P32238 1/20 0.36
CCKBR P32239 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
EIF4E P06730 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5118177 0.87 MAOB (0.38) CA12CA1CA2CA9NPC1
SCHEMBL13647264 0.82 ALDH1A1 (0.41) CA12CA1CA2CA9NPC1
SCHEMBL5116561 0.76 KDM4E (0.44) CA12CA1CA2CA9ALDH1A1
SCHEMBL5122403 0.75 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL3834553 0.71 NLRP3 (0.41) ALDH1A1MEN1KMT2ATSHR
SCHEMBL3835094 0.71 RAB9A (0.44) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL13647158 0.71 LMNA (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL5128801 0.70 LMNA (0.52) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL14500022 0.70 MAOB (0.42) NPC1ALDH1A1MAPTKDM4EMEN1
SCHEMBL4025934 0.69 ERCC1 (0.42) CA12CA1CA2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 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 (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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP CA12 4719/4885CA1 4481/4885CA2 3059/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP CA12 4681/4885CA1 4479/4885CA2 2871/4885

“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.