SCHEMBL35158

SCHEMBL35158

Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Oc1cccc(-c2c(C(C)C)cnc3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.55
NR1H3 Q13133 16/20 0.55
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL35160 0.92 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL35112 0.91 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL35536 0.89 SMN1; SMN2 (0.49) NR1H2NR1H3MEN1NPC1RAB9A
SCHEMBL45916 0.85 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL35234 0.83 NR1H2 (0.71) NR1H2NR1H3
SCHEMBL35291 0.83 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL35499 0.81 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL35409 0.81 NR1H2 (0.66) NR1H2NR1H3
SCHEMBL35305 0.80 NR1H3 (0.60) NR1H2NR1H3
SCHEMBL35086 0.80 NR1H2 (0.58) NR1H2NR1H3MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590948-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS Wyeth LLC (US) 2013-05-15 EP claimed
WO-2012004748-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 WO claimed
US-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 US claimed
EP-2590948-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS Wyeth LLC (US) 2013-05-15 EP disclosed
WO-2012004748-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 WO disclosed
US-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 US disclosed
US-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS WYETH LLC (US) 2012-01-12 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-20120010205-A1 NOVEL QUINOLINE ESTERS USEFUL FOR TREATING SKIN DISORDERS NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885MEN1 3801/4885

“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.