SCHEMBL5839082

SCHEMBL5839082

CC(C)CC(NCc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
MPO P05164 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
LMNA P02545 4/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 4/20 0.41
POLB P06746 3/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL19689777 0.78 DHODH (0.57) DHODHMPOGPR119LMNATP53
SCHEMBL5839087 0.77 DHODH (0.44) DHODHMPOGPR119LMNAIDO1
SCHEMBL5839084 0.77 DHODH (0.44) DHODHMPOGPR119LMNAIDO1
SCHEMBL1466633 0.77 DHODH (0.56) DHODHMPOGPR119TP53
SCHEMBL13691905 0.77 DHODH (0.53) DHODHMPOGPR119LMNATP53
SCHEMBL5808949 0.77 PIK3CD (0.42) LMNA
SCHEMBL8269619 0.77 PIK3CD (0.42) LMNA
SCHEMBL5840091 0.76 HPGD (0.41) LMNA
SCHEMBL16920283 0.76 DHODH (0.52) DHODHMPOGPR119TP53
SCHEMBL30681279 0.74 DHODH (0.52) DHODHMPOGPR119LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US disclosed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 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 (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-20060063799-A1 Sulfonamide bicyclic compounds APP, BACE1, IAPP DHODH 3970/4885MPO 2091/4885GPR119 2459/4885

“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.