SCHEMBL6538869

SCHEMBL6538869

COC(=O)[C@](C)(N)NC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CTSS P25774 1/20 0.47
CPB1 P15086 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPRB P23467 1/20 0.47
ACP1 P24666 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SYK P43405 1/20 0.44

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
SCHEMBL6933219 0.93 MEN1 (0.57) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL6940418 0.89 MEN1 (0.53) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL7359155 0.88 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL22468533 0.85 MEN1 (0.66) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL4508484 0.84 MEN1 (0.57) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL3562291 0.83 MEN1 (0.60) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL10806492 0.82 MEN1 (0.63) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL3559422 0.81 MEN1 (0.61) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL4442846 0.81 KMT2A (0.60) MEN1KMT2ASMN1; SMN2CA12CA1
SCHEMBL10885861 0.81 MEN1 (0.53) MEN1KMT2ASMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030114488-A1 New processes for producing beta-alanine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-19 US disclosed
US-6538007-B1 Hydrates and method of antogonizing glycoprotein IIb/IIIa activity using these compounds is also disclosed. antagonist, inhibitor of blood platelets aggregation and inhibitor of the binding of fibrinogen to blood platelets. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 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 (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-20030114488-A1 New processes for producing beta-alanine derivatives BCAT1, BCAT2, AGXT MEN1 1023/4885KMT2A 3762/4885SMN1; SMN2 2055/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB MEN1 1428/4885KMT2A 2770/4885SMN1; SMN2 2439/4885

“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.