SCHEMBL4848567

SCHEMBL4848567

COc1cccc2c1[C@H]1Nc3ccc(-c4ccc(S(N)(=O)=O)cc4)cc3C(C)(C)[C@@H]1CO2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.37
PTGS1 P23219 10/20 0.37
CA2 P00918 8/20 0.36
CA9 Q16790 7/20 0.36
CA1 P00915 5/20 0.36
CA12 O43570 4/20 0.36
CA4 P22748 2/20 0.35
DPP4 P27487 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
TTK P33981 1/20 0.32

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
SCHEMBL4864334 0.88 ADRA1D (0.35)
SCHEMBL4612431 0.88 ADRA1D (0.35)
SCHEMBL4555633 0.87 PGR (0.38)
SCHEMBL4564297 0.87 PGR (0.35)
SCHEMBL4563791 0.86 HSD11B1 (0.35) PTGS2PTGS1CA2CA9CA1
SCHEMBL4629092 0.86 HSD11B1 (0.35) PTGS2PTGS1CA2CA9CA1
SCHEMBL4864199 0.86 PDE4A (0.39)
SCHEMBL4566784 0.85 RARA (0.43)
SCHEMBL4609216 0.84 CACNA1B (0.35)
SCHEMBL4565861 0.84 MAPT (0.34)

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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP PTGS2 1306/4885PTGS1 1006/4885CA2 4225/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP PTGS2 1306/4885PTGS1 1006/4885CA2 4225/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP PTGS2 1306/4885PTGS1 1006/4885CA2 4225/4885

“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.