SCHEMBL3684576

SCHEMBL3684576

CCOC(=O)C(C)(C)n1ccc2cc(O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
GAA P10253 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3680707 0.85 CYP4F2 (0.36) MAOAMAOBTSHRCYP4F2CYP4A11
SCHEMBL13509430 0.84 CA12 (0.41) CA12CA2CA7CA9CA14
SCHEMBL3688215 0.80 CYP4A11 (0.46) KDM4ECYP4F2CYP4A11CYP1A2CYP2C19
SCHEMBL3688371 0.80 SRD5A2 (0.51) MEN1KMT2AALDH1A1LMNAMAOB
SCHEMBL4470463 0.79 HSD17B10 (0.39) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL3689063 0.79 MCL1 (0.39) GAAKDM4EMEN1KMT2AMAPT
SCHEMBL3683474 0.79 MELK (0.35) ALDH1A1MAPTMAOAMAOBTSHR
SCHEMBL2115772 0.77 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL3686011 0.75 ITGB3 (0.38) KMT2AMAPT
SCHEMBL3687317 0.75 S1PR1 (0.41) GAAKDM4EMEN1KMT2AHPGD

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 9 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
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 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
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 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 (3 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG CA12 4771/4885CA1 4845/4885CA2 3245/4885
US-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG CA12 4107/4885CA1 4560/4885CA2 1679/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD CA12 4863/4885CA1 4871/4885CA2 4436/4885

“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.