SCHEMBL6930397

SCHEMBL6930397

COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)CCC(=O)O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.63
MEN1 O00255 8/20 0.63
CASP3 P42574 2/20 0.63
SENP8 Q96LD8 2/20 0.63
SENP7 Q9BQF6 2/20 0.63
SENP6 Q9GZR1 2/20 0.63
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
TP53 P04637 4/20 0.55
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 2/20 0.55
GAA P10253 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL6926777 0.89 NPC1 (0.71) KMT2AMEN1CASP3SENP7NPC1
SCHEMBL6931919 0.88 KMT2A (0.70) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6931402 0.85 KMT2A (0.57) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL6931401 0.85 KMT2A (0.57) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL6926630 0.84 MEN1 (0.64) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL11732855 0.83 MEN1 (0.73) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL6931937 0.83 MEN1 (0.66) KMT2AMEN1CASP3SENP7NPC1
SCHEMBL6931569 0.82 RAB9A (0.65) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6929596 0.81 HDAC8 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6932035 0.81 NPC1 (0.58) KMT2AMEN1NPC1RAB9ASMN1; 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 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 KMT2A 4700/4885MEN1 3055/4885CASP3 89/4885

“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.