SCHEMBL5898187

SCHEMBL5898187

Cc1cc(C)cc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 5/20 0.54
▸ TAS1R3 Q7RTX0 2/20 0.47
▸ TAS1R1 Q7RTX1 2/20 0.47
▸ TAS1R2 Q8TE23 1/20 0.47
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ MMP3 P08254 2/20 0.41
▸ MMP7 P09237 2/20 0.41
▸ MMP10 P09238 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MMP12 P39900 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
SCHEMBL5897928 0.85 ADAM17 (0.58) ADAM17MMP7NPC1RAB9ASMN1; SMN2
SCHEMBL5898101 0.82 HDAC1 (0.54) ADAM17
SCHEMBL6836251 0.81 ADAM17 (0.57) ADAM17MMP3MMP7MMP10MMP12
SCHEMBL5898241 0.81 ADAM17 (0.57) ADAM17MMP3MMP7MMP10MMP12
SCHEMBL5898479 0.78 ADAM17 (0.54) ADAM17
SCHEMBL5898076 0.78 EZH2 (0.54) ADAM17MMP7NPC1
SCHEMBL5898398 0.77 ADAM17 (0.51) ADAM17TAS1R3TAS1R1
Trifluoroacetic Acid SCHEMBL5897977 0.76 ADAM17 (0.48) ADAM17
SCHEMBL5898128 0.74 MMP2 (0.67) ADAM17MMP7
SCHEMBL5898199 0.74 ADAM17 (0.49) ADAM17TAS1R3TAS1R1TAS1R2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha LU ZHONGHUI (US) 2004-08-19 — — US claimed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 — — US claimed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 — — US disclosed
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha LU ZHONGHUI (US) 2004-08-19 — — US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 — — US disclosed
US-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-07 — — 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-20020016336-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ADAM17 18/4885TAS1R3 4521/4885TAS1R1 4103/4885
US-20040162426-A1 Cyclic beta-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-alpha RNPEP, TNF, ANPEP ADAM17 18/4885TAS1R3 4521/4885TAS1R1 4103/4885

“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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