SCHEMBL2552324

SCHEMBL2552324

CC(C)C[C@H](C(=O)N1CCN(c2ccc(Br)cn2)CC1)[C@H](O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 3/20 0.50
▸ AKR1C3 P42330 1/20 0.49
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ RET P07949 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ OGA O60502 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ ME2 P23368 2/20 0.38
▸ ME1 P48163 2/20 0.38
▸ ME3 Q16798 2/20 0.38

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
SCHEMBL2248916 1.00 PANK3 (0.50) PANK3AKR1C3MMP1MMP2MMP8
SCHEMBL2241911 0.89 MMP1 (0.56) PANK3AKR1C3MMP1MMP2MMP8
SCHEMBL2552328 0.89 MMP1 (0.56) PANK3AKR1C3MMP1MMP2MMP8
SCHEMBL2549668 0.88 PANK3 (0.52) PANK3PPARGPPARDPPARAALDH1A1
SCHEMBL2247529 0.88 PANK3 (0.52) PANK3PPARGPPARDPPARAALDH1A1
SCHEMBL2252745 0.82 ALDH1A1 (0.58) PANK3HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL2249019 0.82 ALDH1A1 (0.58) PANK3HPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL2247600 0.80 MMP1 (0.55) PANK3MMP1MMP2MMP8ME2
SCHEMBL2552096 0.80 MMP1 (0.55) PANK3MMP1MMP2MMP8ME2
SCHEMBL2545875 0.77 MAPK1 (0.47) MMP1MMP2MMP8SMN1; SMN2KDM4E

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 PANK3 3763/4885AKR1C3 645/4885MMP1 812/4885

“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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