SCHEMBL6940418

SCHEMBL6940418

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.50
RECQL P46063 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPRB P23467 1/20 0.50
ACP1 P24666 1/20 0.50
MMP8 P22894 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CTSS P25774 1/20 0.46
SYK P43405 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43

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) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6538869 0.89 MEN1 (0.63) MEN1KMT2AALDH1A1PTPN2PTPN1
SCHEMBL15056984 0.86 KMT2A (0.56) MEN1KMT2AALDH1A1RECQLPTPN2
SCHEMBL7359155 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4508484 0.82 MEN1 (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6940524 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RECQLNPC1
SCHEMBL6214741 0.81 KMT2A (0.51) MEN1KMT2AALDH1A1RECQLPTPN2
SCHEMBL28854887 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1RECQLPTPN2
SCHEMBL28154516 0.81 MMP8 (0.52) KMT2AALDH1A1RECQLMMP8NPC1
SCHEMBL5555267 0.79 ALDH1A1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 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 (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-20030114488-A1 New processes for producing beta-alanine derivatives BCAT1, BCAT2, AGXT MEN1 1023/4885KMT2A 3762/4885ALDH1A1 572/4885

“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.