SCHEMBL3684682

SCHEMBL3684682

CCC(CO)CCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
CA2 P00918 3/20 0.39
CA1 P00915 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
LMNA P02545 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 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
SCHEMBL3716659 0.88 KMT2A (0.46) ALDH1A1KMT2AALOX15BLMPMP22
SCHEMBL11681277 0.87 ALDH1A1 (0.38) ALDH1A1KMT2AALOX15BLMPMP22
SCHEMBL28006988 0.86 ALDH1A1 (0.52) ALDH1A1CA2LMNACYP3A4TSHR
SCHEMBL18554293 0.85 ALOX15 (0.48) ALDH1A1KMT2AALOX15BLMPMP22
SCHEMBL7624351 0.85 ALDH1A1 (0.54) ALDH1A1KMT2ACA2CA1LMNA
SCHEMBL7623785 0.85 ALDH1A1 (0.54) ALDH1A1KMT2ACA2CA1LMNA
SCHEMBL7625928 0.85 ALDH1A1 (0.54) ALDH1A1KMT2ACA2CA1LMNA
SCHEMBL20814594 0.81 ALDH1A1 (0.54) ALDH1A1KMT2AALOX15BLMPMP22
SCHEMBL3687505 0.80 KMT2A (0.40) KMT2AALOX15BLMPMP22CA2
SCHEMBL5081381 0.79 ALDH1A1 (0.50) ALDH1A1CA2LMNACYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP claimed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 WO claimed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 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
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 (2 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 ALDH1A1 1050/4885KMT2A 2003/4885ALOX15 1331/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC ALDH1A1 933/4885KMT2A 1771/4885ALOX15 52/4885

“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.