SCHEMBL2246532

SCHEMBL2246532

CC(C)(Cc1ccc(Cl)cc1)OC(=O)[C@H](CCC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ PTPN1 P18031 6/20 0.44
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CTSK P43235 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
SCHEMBL2254028 0.93 MDM4 (0.47) PTPN1MDM4TP53
SCHEMBL2252014 0.86 MDM4 (0.47) PTPN1MDM4TP53
SCHEMBL30524109 0.85 MDM4 (0.49) PTPN1MDM4TP53
SCHEMBL2247204 0.85 MDM4 (0.49) PTPN1MDM4TP53
SCHEMBL2248828 0.84 KMT2A (0.44) PTPN1MDM4TP53
SCHEMBL28741539 0.82 MDM4 (0.46) MDM4TP53CTSK
SCHEMBL23421255 0.81 KMT2A (0.50) PTPN1MDM4TP53
SCHEMBL29682496 0.81 KMT2A (0.50) PTPN1MDM4TP53
SCHEMBL2248534 0.80 MDM4 (0.46) PTPN1MDM4TP53
SCHEMBL2855134 0.80 MDM4 (0.47) PTPN1MDM4TP53

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-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 — — US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 — — US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 — — US disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 — — 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 CYP3A4 4874/4885CYP1A2 4799/4885CYP2D6 4810/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 CYP3A4 4874/4885CYP1A2 4799/4885CYP2D6 4810/4885

“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.

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