SCHEMBL16259709

SCHEMBL16259709

CCN(C(C)(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.38
LIPG Q9Y5X9 9/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HIF1A Q16665 1/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
DGAT1 O75907 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 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
SCHEMBL13468335 0.87 CA1 (0.35) LPLLIPGCA1CA2CA9
SCHEMBL13268763 0.83 CA1 (0.40) LPLLIPGCA1CA2CA9
SCHEMBL16259706 0.77 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL13268964 0.74 CA1 (0.43) LPLLIPGCA1CA2CA9
SCHEMBL15723286 0.72 HSP90AA1 (0.35)
SCHEMBL13468337 0.72 CA1 (0.39) LPLLIPGCA1CA2CA9
SCHEMBL381613 0.72 LIPG (0.43) LPLLIPGHIF1AAAK1DGAT1
SCHEMBL27008822 0.70 LPL (0.43) LPLLIPGCA1CA2CA9
SCHEMBL12079006 0.70 LPL (0.40) LPLLIPGCA1CA2CA9
SCHEMBL382193 0.69 LPL (0.45) LPLLIPGCA1CA2CA9

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-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC LPL 4626/4885LIPG 4850/4885CA1 1477/4885

“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.