SCHEMBL6785012

SCHEMBL6785012

CC1(C)CN(Cc2ccc(C(=O)NC3CCCC3C(=O)NO)cc2)c2ccccc2S1(O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.48
HDAC6 Q9UBN7 4/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC11 Q96DB2 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL6785009 0.92 ADAM17 (0.49) ADAM17HDAC6HDAC1HDAC8HDAC11
SCHEMBL6785004 0.92 ADAM17 (0.49) ADAM17HDAC6HDAC1HDAC8HDAC11
SCHEMBL6786482 0.88 MMP12 (0.52) ADAM17
SCHEMBL6790857 0.88 MMP3 (0.49) ADAM17HDAC6HDAC1HDAC8HDAC2
SCHEMBL6790288 0.87 MMP12 (0.43) ADAM17HDAC6HDAC1
SCHEMBL6796614 0.86 MMP7 (0.41) ADAM17HDAC6HDAC1HDAC8
SCHEMBL6791710 0.86 MMP7 (0.44) ADAM17HDAC6HDAC1
SCHEMBL6790217 0.84 ADAM17 (0.54) ADAM17HDAC6HDAC1HDAC8
SCHEMBL6492371 0.84 MMP2 (0.49) HDAC6HDAC1HDAC8
SCHEMBL6789654 0.84 ADAM17 (0.49) ADAM17HDAC6HDAC1HDAC8HDAC11

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-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US claimed
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 claimed
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 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

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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 ADAM17 3/4885HDAC6 249/4885HDAC1 57/4885

“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.