SCHEMBL3861132

SCHEMBL3861132

COC(=O)C1=C(NC(C)c2ccccc2)CCNC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ SLC6A3 Q01959 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL18946078 0.81 SLC6A3 (0.46) MAPTPOLBTAAR1ALDH1A1SLC6A2
SCHEMBL20145796 0.78 ALOX5 (0.49) MAPTPOLBALDH1A1ALOX5SLC6A2
SCHEMBL8270258 0.78 ALOX5 (0.49) MAPTPOLBALDH1A1ALOX5SLC6A2
SCHEMBL22240437 0.78 ALOX5 (0.49) MAPTPOLBALDH1A1ALOX5SLC6A2
SCHEMBL20053566 0.77 ALDH1A1 (0.45) ALDH1A1HPGDTDP1LMNA
SCHEMBL24515660 0.75 MAPT (0.43) MAPTMAPK1ALDH1A1ALOX5HPGD
SCHEMBL6349888 0.75 MAPT (0.49) MAPTTAAR1ALDH1A1ALOX5HPGD
SCHEMBL24515659 0.75 MAPT (0.43) MAPTMAPK1ALDH1A1ALOX5HPGD
SCHEMBL6349882 0.75 MAPT (0.49) MAPTTAAR1ALDH1A1ALOX5HPGD
SCHEMBL16579320 0.72 SLC6A3 (0.58) SLC6A2SLC6A4SLC6A3CHRM3

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-7595327-B2 Exo-N-Hydroxy-3-[methyl({4-[(2-methylquinolin-4-yl) methoxy]phenyl}sulfonyl)amino]bicyclo[2.2.1]heptane-2-carboxamide; rheumatoid arthritis (RA), juvenile RA, psoriatic arthritis, ankylosing spondylitis, psoriasis, osteoarthritis, tumor metastasis, sepsis, AIDS, ulcerative colitis, multiple sclerosis WYETH (US) 2009-09-29 — — US disclosed
US-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase WYETH (US) 2006-09-21 — — 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-20060211730-A1 Beta-sulfonamide hydroxamic acid inhibitors of tace/matrix metalloproteinase SI, MMP12, TNF MAPT 2765/4885OPRD1 3481/4885MAPK1 2297/4885

“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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