SCHEMBL2921263

SCHEMBL2921263

O=C(O)CC[C@@](Cc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CASP1 P29466 2/20 0.41
CPB1 P15086 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MGLL Q99685 1/20 0.40
CTRB1 P17538 1/20 0.40

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
SCHEMBL2917076 1.00 HTT (0.51) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10448019 0.92 HTT (0.56) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7271033 0.89 KMT2A (0.52) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1399018 0.88 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7286337 0.88 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1399017 0.88 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL13774925 0.88 KMT2A (0.47) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1399012 0.87 HTT (0.49) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1399015 0.87 HTT (0.49) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8915981 0.86 HTT (0.50) HTTMEN1KMT2ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042286-B1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS LLC (US) 2010-08-25 EP disclosed
US-6569893-B2 Administering to a patient a triptolide or its derivatives, containing an amino acid or oligopeptide moiety for the treatment of cancer and autoimmune deseases, or inhibition of transplant rejection, graft versus host disease PHARMAGENESIS, INC. 2003-05-27 US disclosed
US-20020193419-A1 Amino acid derivatives of triptolide compounds as immune modulators and anticancer agents PHARMAGENESIS, INC. 2002-12-19 US disclosed
EP-0737197-B1 AMINO ALKANOIC ESTERS OF RAPAMYCIN AMERICAN HOME PROD (US) 2002-05-08 EP disclosed
EP-1042286-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH Wei, Edward T. (US) 2000-10-11 EP disclosed
WO-1999033799-A1 GAMMA-GLUTAMYL AND BETA-ASPARTYL CONTAINING IMMUNOMODULATOR COMPOUNDS AND METHODS THEREWITH WEI EDWARD T (US) 1999-07-08 WO disclosed
US-5916878-A DIPEPTIDE OF EITHER GAMMA-GLUTAMYL-L-TRYPTOPHAN OR BETA-ASPARTYL-L-TRYPTOPHAN; ADMINISTERING TO THE PATIENTS TO REDUCE THE RISKS INFECTIONS FROM MICROORGANISM Wei, Edward T. (US) 1999-06-29 US disclosed
US-5389639-A Immunosuppressants AMERICAN HOME PRODUCTS COMPANY (US) 1995-02-14 US disclosed
EP-0244836-B1 TRIPEPTIDE DERIVATIVES Dainippon Pharmaceutical Co., Ltd. (JP) 1993-08-18 EP disclosed
US-4826814-A INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-05-02 US disclosed
EP-0244836-A2 Tripeptide derivatives Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-11 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-20020193419-A1 Amino acid derivatives of triptolide compounds as immune modulators and anticancer agents CCRL2, CCR1, XPNPEP1 HTT 2792/4885MEN1 2944/4885KMT2A 2174/4885

“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.