SCHEMBL23745443

SCHEMBL23745443

CCn1ccnc1C(=O)CCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 7/20 0.39
▸ STING1 Q86WV6 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ FLT1 P17948 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ ALPG P10696 1/20 0.30
▸ PLAA Q9Y263 1/20 0.30

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
SCHEMBL23745232 0.83 STING1 (0.39) FPR2STING1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5518077 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1ALPGPLAA
SCHEMBL13724404 0.75 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1ALPGPLAA
SCHEMBL2633151 0.72 KMT2A (0.50) FPR2SMN1; SMN2KDM4EALDH1A1ALPG
SCHEMBL2627811 0.72 SMN1; SMN2 (0.63) FPR2SMN1; SMN2
SCHEMBL9498449 0.71 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1ALPGPLAA
SCHEMBL3588076 0.71 FPR2 (0.42) FPR2HDAC6KDM4EALDH1A1
SCHEMBL6839749 0.71 CTNNB1 (0.50) STING1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1982420 0.71 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1ALPGPLAA
SCHEMBL300078 0.70 SMN1; SMN2 (0.47) FPR2SMN1; SMN2ALDH1A1

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-20240299360-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD (CN) 2024-09-12 — — US disclosed
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 — — CN disclosed
CN-115052596-A ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-09-13 — — CN disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 — — WO 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 FPR2 3705/4885STING1 3885/4885SMN1; SMN2 3647/4885

“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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