SCHEMBL3686103

SCHEMBL3686103

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
MELK Q14680 1/20 0.35
TSHR P16473 1/20 0.33
TP53 P04637 2/20 0.33
FPR2 P25090 1/20 0.32
GRIK1 P39086 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIK2 Q13002 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK5 Q16478 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31

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 0.79 CA12 (0.41) TSHRTP53FPR2KDM4EGAA
SCHEMBL3681424 0.79 GAA (0.40) TSHRKDM4EALDH1A1GAAKMT2A
SCHEMBL16627489 0.78 FPR2 (0.45) TSHRFPR2ALDH1A1
SCHEMBL3688516 0.78 TSHR (0.37) TSHRTP53FPR2KMT2ACYP1A2
SCHEMBL3683474 0.77 MELK (0.35) ACACBMELKTSHRGRIK1GRIA2
SCHEMBL3683044 0.75 NPSR1 (0.42) TSHRTP53ALDH1A1KMT2AMAPT
SCHEMBL3685329 0.75 CYP4A11 (0.44) TSHRTP53KDM4EKMT2ACYP1A2
SCHEMBL6706690 0.74 PTPN1 (0.44) KDM4EALDH1A1RAB9AKMT2ACYP1A2
SCHEMBL3884700 0.71 CA12 (0.40) TSHRFPR2KDM4EALDH1A1GAA
SCHEMBL3688245 0.70 LMNA (0.54) NPC1ALDH1A1RAB9AKMT2AMAOB

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
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 ACACB 87/4885MELK 1688/4885TSHR 1431/4885

“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.