SCHEMBL3631102

SCHEMBL3631102

COC(=O)c1ccc(OC(C)C)c(-c2ccc(O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.51
CA2 P00918 5/20 0.51
CA12 O43570 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
EGFR P00533 1/20 0.45
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
XDH P47989 2/20 0.44
PTGS2 P35354 1/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 3/20 0.41

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
SCHEMBL24625565 0.85 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL6702060 0.81 CA1 (0.63) CA1CA2CA12CA7CA9
SCHEMBL3629532 0.79 MAPT (0.49) MMP3MAPTKMT2AMEN1RAB9A
SCHEMBL15999083 0.78 PTPN1 (0.52) EGFRALDH1A1HPGDALOX15HTT
SCHEMBL24425908 0.77 MAPT (0.50) CA1CA2CA12CA7CA9
SCHEMBL3631211 0.76 LMNA (0.56) EGFRPTGS2MAPTRAB9AMCL1
SCHEMBL28663604 0.76 MAPT (0.66) CA1CA2CA12CA7CA9
SCHEMBL6568018 0.76 MAPT (0.66) CA1CA2CA12CA7CA9
SCHEMBL6529701 0.76 MGLL (0.49) CA1CA2CA12CA7CA9
SCHEMBL2592533 0.75 ALDH1A1 (0.48) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 CA1 3792/4885CA2 1886/4885CA12 3891/4885

“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.