SCHEMBL6930408

SCHEMBL6930408

O=CCC(C(=O)O)c1ccc(NC(=O)Nc2cccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 17/20 0.54
MAPT P10636 14/20 0.54
MEN1 O00255 13/20 0.54
KMT2A Q03164 13/20 0.54
HSD17B10 Q99714 10/20 0.54
RAB9A P51151 9/20 0.54
ALOX15 P16050 9/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
TP53 P04637 6/20 0.54
GFER P55789 1/20 0.54
HTT P42858 7/20 0.54
USP2 O75604 2/20 0.54
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45

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
SCHEMBL6931854 0.84 CASP3 (0.54) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL6931406 0.80 MAOA (0.54) MEN1KMT2ARAB9A
SCHEMBL6931346 0.79 CNR1 (0.51) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL6931995 0.79 MEN1 (0.46) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL6930406 0.79 SMN1; SMN2 (0.55) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL6931563 0.76 RAB9A (0.59) GAAMAPTMEN1KMT2ARAB9A
SCHEMBL11968855 0.75 GAA (0.73) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL11054831 0.72 GAA (0.64) GAAMAPTMEN1KMT2AHSD17B10
SCHEMBL6925981 0.72 CA12 (0.51) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL6930411 0.72 GAA (0.59) GAAMAPTMEN1KMT2AHSD17B10

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 GAA 269/4885MAPT 718/4885MEN1 3055/4885

“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.