SCHEMBL16259583

SCHEMBL16259583

CC(C)c1ccc(S(=O)(=O)NC(C)C(C)(C)O)c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP7 P09237 1/20 0.36
CNR2 P34972 10/20 0.36
CNR1 P21554 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
ADAMTS4 O75173 1/20 0.33
HSD11B1 P28845 1/20 0.33
KAT6A Q92794 1/20 0.33
EEF2K O00418 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL19590524 0.90 FEN1 (0.38) MMP7CNR2CNR1HSD11B1SLC22A12
SCHEMBL19590523 0.90 FEN1 (0.38) MMP7CNR2CNR1HSD11B1SLC22A12
SCHEMBL16849238 0.90 CNR2 (0.36) MMP7CNR2CNR1ADAMTS4HSD11B1
SCHEMBL16259586 0.87 CNR2 (0.38) MMP7CNR2CNR1HSD11B1SLC22A12
SCHEMBL16261166 0.84 FFAR4 (0.39) MMP7CNR2CNR1AKR1C3AKR1C2
SCHEMBL15723304 0.81 CNR1 (0.44) CNR2CNR1SLC22A12
SCHEMBL23963418 0.79 FABP3 (0.40) AKR1C3AKR1C2CYP2D6CYP2C9HIF1A
SCHEMBL17298384 0.79 CNR2 (0.40) CNR2CNR1
SCHEMBL16259627 0.79 CNR2 (0.44) CNR2CNR1
SCHEMBL16259620 0.78 CNR2 (0.42) CNR2CNR1AKR1C3AKR1C2

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-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
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 (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-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 MMP7 4881/4885CNR2 65/4885CNR1 59/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC MMP7 4870/4885CNR2 74/4885CNR1 68/4885

“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.