SCHEMBL11989062

SCHEMBL11989062

CC(C)C[C@H](C(=O)N1CCN(c2ccc(Cl)cn2)C[C@H]1C)C(O)C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ PANK3 Q9H999 1/20 0.40
▸ GRM1 Q13255 2/20 0.38
▸ HDAC1 Q13547 4/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PRKG1 Q13976 1/20 0.37
▸ SLC6A7 Q99884 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ AKT3 Q9Y243 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ KIT P10721 2/20 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
SCHEMBL2248888 1.00 MMP1 (0.42) MMP1MMP2MMP8PANK3GRM1
SCHEMBL2242116 1.00 MMP1 (0.42) MMP1MMP2MMP8PANK3GRM1
SCHEMBL8271398 1.00 MMP1 (0.42) MMP1MMP2MMP8PANK3GRM1
SCHEMBL8273020 1.00 MMP1 (0.42) MMP1MMP2MMP8PANK3GRM1
SCHEMBL13876661 0.91 PANK3 (0.39) PANK3GRM1HDAC1CHRM4ENPP2
SCHEMBL2252819 0.91 GRM1 (0.41) PANK3GRM1HDAC1CHRM4ENPP2
SCHEMBL2246283 0.91 GRM1 (0.41) PANK3GRM1HDAC1CHRM4ENPP2
SCHEMBL2245815 0.87 HDAC1 (0.42) MMP1MMP2MMP8GRM1HDAC1
SCHEMBL2250775 0.87 CHRM2 (0.48) MMP1MMP2MMP8PANK3CHRM2
SCHEMBL2244374 0.86 MMP2 (0.46) MMP1MMP2MMP8HDAC1SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 — — US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 — — 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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD MMP1 812/4885MMP2 1413/4885MMP8 438/4885

“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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