SCHEMBL13637974

SCHEMBL13637974

CCN[C@H](CO)C(=O)CC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 3/20 0.36
TGFBR1 P36897 3/20 0.34
LMNA P02545 2/20 0.31
CNR1 P21554 1/20 0.31
ADRA1A P35348 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MMP9 P14780 1/20 0.31
ABCC3 O15438 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL13676316 1.00 MMP3 (0.36) MMP3TGFBR1LMNACNR1ADRA1A
SCHEMBL16372630 0.82 CES2 (0.35) MMP3TGFBR1MMP9
SCHEMBL16846024 0.82 MMP1 (0.34) MMP3TGFBR1LMNACNR1ADRA1A
SCHEMBL7567693 0.82 LMNA (0.33) TGFBR1LMNACNR1ADRA1ATDP1
SCHEMBL20999419 0.81
SCHEMBL12311713 0.81
SCHEMBL13605043 0.80 ECE1 (0.34) MMP3
SCHEMBL14539228 0.80 ECE1 (0.34) MMP3
SCHEMBL22963792 0.79 KDM4E (0.39) MMP3KDM4EMMP9SMN1; SMN2
SCHEMBL12301639 0.79 HDAC7 (0.37) MMP3ADRA1ATDP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324190-B2 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones Temple University—Of the Commonwealth System of Higher Education (US) 2012-12-04 US disclosed
US-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-11-12 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-20090281066-A1 Treatment of proliferative disorders with amino-substituted (E)-2,6- dialkoxystyryl 4-substituted benzylsulfones CCNY, CCND2, ETV6 MMP3 3415/4885TGFBR1 4116/4885LMNA 1265/4885

“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.