SCHEMBL3686106

SCHEMBL3686106

CCOC(=O)COc1ccc(SC(C)CNC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
AAK1 Q2M2I8 4/20 0.40
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 4/20 0.37
NLRP3 Q96P20 1/20 0.36
VDR P11473 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL13508358 1.00 ESR1 (0.43) ESR1AAK1MAPK1PPARGPPARD
SCHEMBL3685186 0.80 ESR1 (0.47) ESR1MAPK1PPARDALDH1A1
SCHEMBL13508359 0.80 ESR1 (0.47) ESR1MAPK1PPARDALDH1A1
SCHEMBL13508360 0.77 LMNA (0.50) ESR1MAPK1PPARDALDH1A1
SCHEMBL4855183 0.76 ESR1 (0.51) ESR1AAK1MAPK1PPARGNLRP3
SCHEMBL5974797 0.74 ESR1 (0.55) ESR1PPARDVDRALDH1A1
SCHEMBL3696699 0.73 ESR1 (0.46) ESR1PPARDALDH1A1
SCHEMBL12059023 0.73 ESR1 (0.54) ESR1PPARDVDRALDH1A1
SCHEMBL14527871 0.72 ESR1 (0.53) ESR1MAPK1PPARDVDRALDH1A1
SCHEMBL1549625 0.72 VDR (0.45) ESR1PPARDVDRALDH1A1

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-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG ESR1 1864/4885AAK1 1952/4885MAPK1 2241/4885

“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.