SCHEMBL3685329

SCHEMBL3685329

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.44
CYP4F2 P78329 2/20 0.44
OXER1 Q8TDS5 1/20 0.40
S1PR1 P21453 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
NR1H2 P55055 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
PLA2G4A P47712 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL13509571 0.88 CA12 (0.41) CYP4A11CYP4F2KMT2AKDM4ECYP1A2
SCHEMBL3692153 0.85 S1PR1 (0.41) OXER1S1PR1ITGB3ITGAVKMT2A
SCHEMBL3684738 0.81 KMT2A (0.39) KMT2ATP53
SCHEMBL3681424 0.80 GAA (0.40) KMT2AKDM4ETSHR
SCHEMBL3688516 0.79 TSHR (0.37) KMT2ACYP1A2CYP2C19TP53TSHR
SCHEMBL16627489 0.79 FPR2 (0.45) TSHR
SCHEMBL3683044 0.79 NPSR1 (0.42) ITGB3ITGAVNR1H2KMT2ATP53
SCHEMBL3688215 0.76 CYP4A11 (0.46) CYP4A11CYP4F2OXER1S1PR1NR1H2
SCHEMBL3686103 0.75 ACACB (0.38) KMT2AKDM4ECYP1A2CYP2C19TP53
SCHEMBL6706690 0.75 PTPN1 (0.44) KMT2AKDM4ECYP1A2CYP3A4CYP2C19

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 5 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
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 CYP4A11 144/4885CYP4F2 451/4885OXER1 1232/4885

“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.