SCHEMBL6487702

SCHEMBL6487702

COC(=O)C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.50
NAMPT P43490 2/20 0.47
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
GLS O94925 3/20 0.47
CCKBR P32239 1/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4A O75164 1/20 0.43
CREBBP Q92793 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
PTPN11 Q06124 1/20 0.42
MAPT P10636 1/20 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
SCHEMBL6500465 0.89 PTPN11 (0.54) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL29289884 0.88 BRD4 (0.53) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL3507808 0.86 BRD4 (0.53) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL16193027 0.85 BRD4 (0.52) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL731764 0.83 BRD4 (0.54) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL31709823 0.83 BRD4 (0.54) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL10209845 0.82 AURKA (0.52) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL27113148 0.82 CA1 (0.51) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL5560988 0.82 AURKA (0.52) BRD4NAMPTAURKARPS6KB1GLS
SCHEMBL16527267 0.81 AURKA (0.54) BRD4NAMPTAURKARPS6KB1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed
US-20020052513-A1 Oxamide IMPDH inhibitors HOFFMANN-LA ROCHE INC. 2002-05-02 US disclosed
EP-1127883-A2 Oxamides as IMPDH inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 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-20020052513-A1 Oxamide IMPDH inhibitors IMPDH1, IMPDH2, IMPA1 BRD4 4308/4885NAMPT 76/4885AURKA 1813/4885

“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.