SCHEMBL5840091

SCHEMBL5840091

Cc1cc2cc(CNC(CC(C)C)C(N)=O)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
ALOX15 P16050 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H2 P55055 9/20 0.39
NR1H3 Q13133 2/20 0.39
REN P00797 1/20 0.37
KDM4E B2RXH2 3/20 0.37
RECQL P46063 1/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL5808949 0.83 PIK3CD (0.42) NR1H2NR1H3RENALDH1A1LMNA
SCHEMBL8269619 0.83 PIK3CD (0.42) NR1H2NR1H3RENALDH1A1LMNA
SCHEMBL5840101 0.77 NR1H2 (0.43) HPGDCYP1A2CYP3A4CYP2C19ALOX15
SCHEMBL5840095 0.77 HPGD (0.43) HPGDCYP1A2CYP3A4CYP2C19ALOX15
SCHEMBL5839082 0.76 DHODH (0.46) LMNA
SCHEMBL13291550 0.73 NR1H2 (0.44) CYP1A2CYP3A4CYP2C19NR1H2NR1H3
SCHEMBL13291538 0.72 NR1H2 (0.39) HPGDCYP1A2CYP3A4CYP2C19ALOX15
SCHEMBL5436506 0.71 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL10173695 0.71 NR1H2 (0.49) CYP1A2CYP3A4CYP2C19NR1H2NR1H3
SCHEMBL13291540 0.71 NR1H2 (0.38) HPGDCYP1A2CYP3A4CYP2C19ALOX15

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 HPGD 3978/4885CYP1A2 2571/4885CYP3A4 1806/4885

“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.