SCHEMBL31121173

SCHEMBL31121173

COc1ccc2c(c1)CCN(C(=O)CC[C@@]1(C3CC3)NC(=O)NC1=O)CC2

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 4/20 0.70
▸ ADAMTS5 Q9UNA0 18/20 0.66
▸ ADAM17 P78536 3/20 0.57
▸ MMP2 P08253 3/20 0.56
▸ MMP13 P45452 2/20 0.55
▸ ADAMTS1 Q9UHI8 1/20 0.55
▸ MMP1 P03956 1/20 0.55
▸ MMP12 P39900 1/20 0.55

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
SCHEMBL23745358 0.88 ADAMTS4 (0.67) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23745396 0.85 ADAMTS5 (0.72) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23745296 0.85 ADAMTS5 (0.68) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23745361 0.85 ADAMTS5 (0.69) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL19691587 0.83 ADAMTS4 (1.00) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23745279 0.83 ADAMTS4 (0.63) ADAMTS4ADAMTS5MMP2MMP13ADAMTS1
SCHEMBL23727481 0.82 ADAMTS5 (0.58) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL23727483 0.82 ADAMTS5 (0.58) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL29262510 0.81 ADAMTS5 (0.66) ADAMTS4ADAMTS5ADAM17MMP2MMP13
SCHEMBL22892283 0.79 ADAMTS4 (0.77) ADAMTS4ADAMTS5ADAM17MMP2MMP13

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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 — — 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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF ADAMTS5, ADAMTS4, ADAMTS1 ADAMTS4 2/4885ADAMTS5 1/4885ADAM17 7/4885

“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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