SCHEMBL3688083

SCHEMBL3688083

CCC(Br)CCCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SOAT1 P35610 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL1554385 0.82 AKR1B1 (0.46) KMT2AALOX15MEN1PPARDTSHR
SCHEMBL10667694 0.79 ALOX15 (0.38) KMT2AALOX15BLMPMP22TSHR
SCHEMBL3689017 0.76
SCHEMBL20510151 0.76 CA2 (0.47) CA2CA1KMT2AALOX15BLM
SCHEMBL4932785 0.76 FFAR4 (0.52) KMT2AALOX15PMP22MEN1PPARD
SCHEMBL3050742 0.75 CYP1A2 (0.52) KMT2AALOX15CYP3A4CYP1A2TSHR
SCHEMBL6394001 0.74
SCHEMBL16539159 0.74 CA1 (0.40) CA2CA1KMT2AALOX15BLM
SCHEMBL17335572 0.74 CA1 (0.40) CA2CA1KMT2AALOX15BLM
SCHEMBL7862925 0.74 ALDH1A1 (0.44) CA2CA1KMT2AALOX15BLM

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
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
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO 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 CA2 1679/4885CA1 4560/4885KMT2A 2003/4885

“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.