SCHEMBL6490875

SCHEMBL6490875

COC(=O)c1ccc(C2CCS(=O)(=O)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HNF4A P41235 1/20 0.42
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ATM Q13315 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6490874 0.87 RAB9A (0.42) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL4053425 0.84 HAO1 (0.39) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL6462707 0.83 L3MBTL1 (0.37) MEN1KMT2ATSHRSLC6A2SLC6A4
SCHEMBL7083547 0.74 HAO1 (0.64) MEN1KMT2AALDH1A1HNF4AHTT
SCHEMBL8062730 0.70 CA2 (0.41) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL4053422 0.70 HAO1 (0.39) MEN1KMT2ATSHRKDM4EL3MBTL1
SCHEMBL8062954 0.70 ALDH1A1 (0.44) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL6462716 0.69 KDM1A (0.39) MEN1KMT2ATSHRSLC6A2SLC6A4
SCHEMBL24107667 0.69 ALDH1A1 (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL31611736 0.68 TSHR (0.60) MEN1KMT2AALDH1A1RAB9ANPC1

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-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-07-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
US-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-05-08 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 (2 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-20030087882-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 MEN1 1448/4885KMT2A 4241/4885ALDH1A1 750/4885
US-20040132693-A1 Spiro-cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha converting enzyme (TACE) ADAM17, ADAM9, TIMP3 MEN1 1448/4885KMT2A 4241/4885ALDH1A1 750/4885

“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.