SCHEMBL6489386

SCHEMBL6489386

COC(=O)c1ccc(C(O)c2c(C)c(C)nc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TNKS O95271 1/20 0.46
PDE5A O76074 1/20 0.46
ABCC1 P33527 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MAPT P10636 5/20 0.45
TP53 P04637 3/20 0.45
PDE10A Q9Y233 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
TSHR P16473 2/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL6757814 0.82 MEN1 (0.44) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL3969700 0.78 KDM4E (0.59) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL30251598 0.75 TSHR (0.64) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL866718 0.75 TSHR (0.64) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL6492382 0.74 AR (0.53) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL6481272 0.73 KDM4E (0.47) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL6797446 0.73 POLB (0.46) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL21878637 0.73 MEN1 (0.75) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL7061841 0.72 ADORA2A (0.70) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL6478698 0.72 KDM4E (0.44) MEN1KMT2APOLBKDM4ESMN1; SMN2

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 6 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-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 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 (3 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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 MEN1 2637/4885KMT2A 3609/4885POLB 885/4885
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 4241/4885POLB 1005/4885
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 4241/4885POLB 1005/4885

“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.