SCHEMBL5840101

SCHEMBL5840101

Cc1cc2cc(CNCC(C)CCC(N)=O)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.43
NR1H3 Q13133 2/20 0.43
HPGD P15428 7/20 0.37
ALOX15 P16050 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 6/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5808954 0.84 PIK3CD (0.41) NR1H2NR1H3SMO
SCHEMBL5840091 0.77 HPGD (0.41) NR1H2NR1H3HPGDALOX15MEN1
SCHEMBL5840095 0.77 HPGD (0.43) NR1H2NR1H3HPGDALOX15MEN1
SCHEMBL5839087 0.77 DHODH (0.44) THRB
SCHEMBL13291538 0.75 NR1H2 (0.39) NR1H2NR1H3HPGDALOX15MEN1
SCHEMBL13291540 0.73 NR1H2 (0.38) NR1H2NR1H3HPGDALOX15MEN1
SCHEMBL13291550 0.72 NR1H2 (0.44) NR1H2NR1H3CYP1A2CYP3A4CYP2C19
SCHEMBL5798369 0.70 MAPT (0.54) HPGDALOX15MEN1KMT2AKDM4E
SCHEMBL5436506 0.70 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL10173695 0.69 NR1H2 (0.49) NR1H2NR1H3CYP1A2CYP3A4CYP2C19

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-7144894-B2 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-05 US claimed
US-20060063799-A1 Sulfonamide bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 US claimed
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 NR1H2 3412/4885NR1H3 3385/4885HPGD 3978/4885

“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.