SCHEMBL3851985

SCHEMBL3851985

Cc1ccc(S(=O)(=O)OP(=O)(O)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 1/20 0.46
MMP8 P22894 3/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP14 P50281 1/20 0.43
GAA P10253 3/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38

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
SCHEMBL3482784 0.82 MMP2 (0.47) MMP2CA12CA9CA14MMP8
SCHEMBL3165483 0.80 MMP2 (0.46) MMP2CA12CA9CA14MMP8
SCHEMBL10914266 0.79 CA12 (0.45) MMP2CA12CA9CA14MMP8
SCHEMBL11376130 0.77 GAA (0.50) MMP2CA12CA9CA14MMP8
SCHEMBL7644657 0.76 GAA (0.41) MMP2CA12CA9CA14MMP8
SCHEMBL27547802 0.76 GAA (0.48) MMP2CA12CA9CA14MMP8
SCHEMBL15548657 0.75 CA12 (0.41) MMP2CA12CA9CA14MMP8
SCHEMBL28982333 0.74 GAA (0.46) MMP2CA12CA9CA14MMP8
SCHEMBL10914263 0.74 CA9 (0.48) MMP2CA12CA9CA14MMP8
Phosphoric Acid SCHEMBL28831062 0.74 MMP2 (0.47) MMP2CA12CA9CA14MMP8

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-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 US disclosed
US-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2006-11-09 US disclosed
EP-1656387-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2006-05-17 EP disclosed
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. 2005-03-17 US disclosed
WO-2005012324-A2 NUCLEOBASE PHOSPHONATE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2005-02-10 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-20060252729-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 MMP2 3714/4885CA12 4644/4885CA9 4429/4885
US-20050059637-A1 Nucleobase phosphonate analogs for antiviral treatment TYMP, TK1, NUDT1 MMP2 3714/4885CA12 4644/4885CA9 4429/4885

“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.