SCHEMBL5840095

SCHEMBL5840095

Cc1cc2cc(CNNC(=O)CCC(C)C)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALOX15 P16050 5/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
HSD17B10 Q99714 2/20 0.43
NR1H2 P55055 8/20 0.42
KDM4E B2RXH2 6/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 3/20 0.39
THRB P10828 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR1H3 Q13133 2/20 0.37
RECQL P46063 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5840101 0.77 NR1H2 (0.43) HPGDMEN1KMT2AALOX15CYP1A2
SCHEMBL5840091 0.77 HPGD (0.41) HPGDMEN1KMT2AALOX15CYP1A2
SCHEMBL5839084 0.76 DHODH (0.44) THRB
SCHEMBL13291550 0.73 NR1H2 (0.44) CYP1A2CYP3A4CYP2C19NR1H2KDM4E
SCHEMBL18966700 0.72 ESR2 (0.43) MEN1KMT2ANR1H2KDM4EGAA
SCHEMBL13291538 0.72 NR1H2 (0.39) HPGDMEN1KMT2AALOX15CYP1A2
SCHEMBL5436506 0.71 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL10173695 0.71 NR1H2 (0.49) CYP1A2CYP3A4CYP2C19NR1H2NR1H3
SCHEMBL13291540 0.71 NR1H2 (0.38) HPGDMEN1KMT2AALOX15CYP1A2
SCHEMBL13646769 0.70 AKR1C3 (0.43) MEN1KMT2ANR1H2KDM4EALDH1A1

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 3978/4885MEN1 2317/4885KMT2A 4130/4885

“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.