SCHEMBL8277239

SCHEMBL8277239

CC(=O)Cc1cccc(CC(=O)NCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.46
CNR1 P21554 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
NOS2 P35228 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HSD17B2 P37059 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KCNH2 Q12809 1/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.42
GLS O94925 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL8277246 0.87 ATM (0.58) ATMALDH1A1HPGDGAACNR1
SCHEMBL14492496 0.85 ATM (0.43) ATMALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL13602500 0.84 SHMT1 (0.54) ATMALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL3207999 0.83 ATM (0.58) ATMALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL3207835 0.82 ATM (0.80) ATMALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL9339377 0.82 ATM (0.56) ATMALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL3208574 0.81 CA1 (0.60) ALDH1A1SMN1; SMN2CA1CA2MTNR1A
SCHEMBL3209903 0.79 HPGD (0.52) ATMALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL27330601 0.79 ATM (0.65) ATMALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL729924 0.78 AKR1B1 (0.58) ALDH1A1HPGDKMT2AMEN1GAA

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-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 ATM 1887/4885ALDH1A1 401/4885HPGD 3620/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B ATM 4782/4885ALDH1A1 1424/4885HPGD 3099/4885

“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.