SCHEMBL3692153

SCHEMBL3692153

CCCNCCCc1ccc2c(ccn2C(C)C(=O)OCC)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
OXER1 Q8TDS5 2/20 0.39
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
PLA2G4A P47712 3/20 0.36
KMT2A Q03164 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL3685329 0.85 CYP4A11 (0.44) S1PR1OXER1ITGB3ITGAVPLA2G4A
SCHEMBL3689963 0.81 ITGB3 (0.40) ITGB3ITGAV
SCHEMBL13509571 0.81 CA12 (0.41) KMT2AKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL3687317 0.79 S1PR1 (0.41) S1PR1OXER1PLA2G4AKMT2ATHRA
SCHEMBL3684738 0.76 KMT2A (0.39) KMT2ATP53
SCHEMBL3681424 0.75 GAA (0.40) KMT2AKDM4E
SCHEMBL3688516 0.74 TSHR (0.37) KMT2ACYP1A2CYP2C19TP53
SCHEMBL16627489 0.74 FPR2 (0.45)
SCHEMBL6706690 0.71 PTPN1 (0.44) KMT2AKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL3683044 0.70 NPSR1 (0.42) ITGB3ITGAVKMT2ATP53

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
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
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 S1PR1 997/4885OXER1 1232/4885ITGB3 4630/4885

“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.