SCHEMBL35085

SCHEMBL35085

CC(C)c1cnc2c(Cl)cccc2c1-c1cccc(OC(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.58
NR1H3 Q13133 17/20 0.58
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL35086 0.93 NR1H2 (0.58) NR1H2NR1H3SMN1; SMN2
SCHEMBL35291 0.91 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL35310 0.89 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL38526 0.89 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL35004 0.87 NR1H3 (0.52) NR1H2NR1H3
SCHEMBL35536 0.84 SMN1; SMN2 (0.49) NR1H2NR1H3LMNAMAPTSMN1; SMN2
SCHEMBL4015540 0.83 NR1H2 (0.78) NR1H2NR1H3
SCHEMBL35209 0.82 MAPT (0.47) NR1H2NR1H3LMNAMAPTSMN1; SMN2
SCHEMBL35112 0.81 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL35356 0.81 NR1H2 (0.51) NR1H2NR1H3MAPT

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 6 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

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 2/4885LMNA 1934/4885

“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.