SCHEMBL2546779

SCHEMBL2546779

CC(C)C[C@H](C(=O)N1CC=C(c2ccc(F)cc2)CC1)[C@H](O)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP8 P22894 1/20 0.53
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PARP1 P09874 2/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 4/20 0.41
CCR1 P32246 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
QDPR P09417 1/20 0.39

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
SCHEMBL2244916 1.00 MMP1 (0.53) MMP1MMP2MMP8NPC1ALDH1A1
SCHEMBL2249241 0.90 MMP1 (0.53) MMP1MMP2MMP8NPC1MAPT
SCHEMBL2551945 0.90 MMP1 (0.53) MMP1MMP2MMP8NPC1MAPT
SCHEMBL2249633 0.89 MMP2 (0.55) MMP1MMP2MMP8NPC1ALDH1A1
SCHEMBL2545082 0.89 MMP2 (0.55) MMP1MMP2MMP8NPC1ALDH1A1
SCHEMBL2546549 0.88 NPC1 (0.48) NPC1ALDH1A1MAPTHPGDALOX15
SCHEMBL2252888 0.88 NPC1 (0.48) NPC1ALDH1A1MAPTHPGDALOX15
SCHEMBL2550064 0.78 MMP1 (0.60) MMP1MMP2MMP8ALDH1A1MAPT
SCHEMBL2247737 0.78 MMP1 (0.60) MMP1MMP2MMP8ALDH1A1MAPT
SCHEMBL2550364 0.78 CCR1 (0.54) NPC1MAPTNAMPTCCR1SIGMAR1

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed

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.