SCHEMBL5651671

SCHEMBL5651671

NC(=O)[C@H](CCC(=O)O)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.46
AVPR1A P37288 2/20 0.46
HPGDS O60760 10/20 0.45
LDHA P00338 1/20 0.44
BAZ2B Q9UIF8 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 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
SCHEMBL2247836 0.88 PTGES (0.44) OXTRAVPR1ASIRT2SIRT1SIRT3
SCHEMBL5651674 0.87 OXTR (0.46) OXTRAVPR1AHPGDSLDHABAZ2B
SCHEMBL4367868 0.86 TSHR (0.43)
SCHEMBL27826145 0.83 TRPM8 (0.46) HDAC3HDAC1HDAC7HDAC10HDAC8
SCHEMBL5650478 0.80 TRPM8 (0.50) HPGDS
SCHEMBL5652505 0.80 KMT2A (0.40) HDAC3HDAC1HDAC7HDAC10HDAC8
SCHEMBL2246642 0.79 MMP12 (0.41) HDAC3HDAC1HDAC2
SCHEMBL4369489 0.78 PTGES (0.45) HDAC1HDAC6
SCHEMBL4623397 0.77 MAPK8 (0.39) HDAC3HDAC1HDAC7HDAC10HDAC8
SCHEMBL5653131 0.77 CYP1A2 (0.46)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US claimed

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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 OXTR 2105/4885AVPR1A 1617/4885HPGDS 1417/4885

“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.