SCHEMBL6931388

SCHEMBL6931388

O=C(O)CCC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.66
▸ THRB P10828 1/20 0.66
▸ TP53 P04637 2/20 0.65
▸ RXFP1 Q9HBX9 2/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ PRSS12 P56730 7/20 0.60
▸ POLB P06746 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ F10 P00742 3/20 0.57
▸ MAPK1 P28482 1/20 0.57

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
SCHEMBL6925288 0.87 MAPT (0.61) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL6925292 0.87 MAPT (0.61) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL16562057 0.84 MAPT (0.72) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL5935569 0.84 MAPT (0.79) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL16554278 0.80 MAPT (0.69) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL6593736 0.80 MAPT (0.69) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL14315172 0.79 MAPT (1.00) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL16562249 0.79 MAPT (0.76) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL16554267 0.77 MAPT (0.70) MAPTTHRBTP53RXFP1SMN1; SMN2
SCHEMBL23353224 0.76 MAPT (1.00) MAPTTHRBTP53RXFP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 718/4885THRB 793/4885TP53 2228/4885

“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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