SCHEMBL13174129

SCHEMBL13174129

COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)C(N)Cc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.61
MMP2 P08253 2/20 0.58
ADAMTS4 O75173 1/20 0.58
MMP13 P45452 1/20 0.58
MMP14 P50281 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.58
KEAP1 Q14145 1/20 0.53
LTA4H P09960 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP9 P14780 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL5945539 1.00 SPPL2A (0.61) SPPL2AMMP2ADAMTS4MMP13MMP14
SCHEMBL1058892 0.95 SPPL2A (0.67) SPPL2AMMP2ADAMTS4MMP13MMP14
SCHEMBL1058690 0.93 SPPL2A (0.69) SPPL2A
SCHEMBL14602719 0.93 SPPL2A (0.69) SPPL2A
SCHEMBL7905239 0.93 SPPL2A (0.69) SPPL2A
SCHEMBL15355882 0.90 SPPL2A (0.61) SPPL2A
SCHEMBL7419618 0.87 SPPL2A (0.67) SPPL2AMMP2ADAMTS4MMP13MMP14
SCHEMBL28738327 0.87 SPPL2A (0.60) SPPL2AKEAP1
SCHEMBL28628358 0.87 SPPL2A (0.60) SPPL2AKEAP1
SCHEMBL28628356 0.87 SPPL2A (0.60) SPPL2AKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172295-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-07-04 US disclosed
US-8431745-B2 Process for preparation of HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120258935-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHBITORS GILEAD SCIENCES, INC. (US) 2012-10-11 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-20130172295-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHIBITORS PRSS1, PREP, SERPINB1 SPPL2A 1280/4885MMP2 199/4885ADAMTS4 233/4885
US-20120258935-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHBITORS PREP, FURIN, PRSS1 SPPL2A 1299/4885MMP2 114/4885ADAMTS4 341/4885

“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.