Sugi Predict

Sugi Predict / Compounds / SCHEMBL6929677

SCHEMBL6929677

SCHEMBL6929677

O=C(O)CC/C(=N\O)c1ccc(N(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ CTBP2 P56545 1/20 0.40
▸ HDAC8 Q9BY41 3/20 0.39
▸ AKR1B1 P15121 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ REN P00797 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC9 Q9UKV0 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
SCHEMBL7657647 0.78 SRD5A2 (0.54) MAPTHDAC8AKR1B1RENHDAC3
SCHEMBL5099035 0.77 NR4A2 (0.57) MAPTHDAC8ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5099030 0.77 NR4A2 (0.57) MAPTHDAC8ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6157413 0.77 NR4A2 (0.57) MAPTHDAC8ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6931844 0.76 PPARA (0.37) MAPTHDAC8ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6931851 0.76 PPARA (0.37) MAPTHDAC8ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6929602 0.76 EPHX2 (0.58) MAPTHDAC8ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6929605 0.76 EPHX2 (0.58) MAPTHDAC8ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21085193 0.73 FNTA (0.58) AKR1B1ALDH1A1RENLMNA
SCHEMBL7657322 0.73 KMT2A (0.53) MAPTHDAC8ALDH1A1RENHDAC3

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-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 — — US claimed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 — — US claimed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 — — US claimed
US-6624196-B2 Particularly gelatinase A, collagenase-3, and stromelysin-1 and for the treatment of multiple sclerosis, cardiovascular disorders WARNER-LAMBERT COMPANY 2003-09-23 — — US disclosed
US-6541521-B1 Particularly gelatinase A, collagenase-3, and stromelysin-1 WARNER-LAMBERT COMPANY 2003-04-01 — — US disclosed
US-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY (US) 2002-10-31 — — 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-20020161050-A1 Benzene butyric acids and their derivatives as inhibitors of matrix metalloproteinases MMP1, MMP8, MMP13 MAPT 718/4885CTBP2 1358/4885HDAC8 525/4885

“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.