SCHEMBL6924368

SCHEMBL6924368

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.73
RAB9A P51151 2/20 0.73
FFAR1 O14842 1/20 0.73
LMNA P02545 1/20 0.73
CYP1A2 P05177 1/20 0.73
HIF1A Q16665 1/20 0.73
NR1H4 Q96RI1 1/20 0.67
PTPN1 P18031 4/20 0.66
DEGS1 O15121 1/20 0.65
TRPV1 Q8NER1 1/20 0.60
POLB P06746 3/20 0.59
STAT3 P40763 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP3A4 P08684 1/20 0.58
PSMD14 O00487 1/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 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
SCHEMBL6927758 0.92 NR4A2 (0.67) SMN1; SMN2RAB9AFFAR1LMNACYP1A2
Fenbufen SCHEMBL11329267 0.85 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AFFAR1LMNACYP1A2
Fenbufen SCHEMBL25117 0.85 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AFFAR1LMNACYP1A2
Fenbufen SCHEMBL11393779 0.84 SMN1; SMN2 (0.96) SMN1; SMN2RAB9AFFAR1LMNACYP1A2
SCHEMBL6926264 0.83 KMT2A (0.72) SMN1; SMN2RAB9ALMNANR1H4POLB
SCHEMBL6925985 0.83 MITF (0.66) RAB9ALMNAPTPN1POLBMEN1
SCHEMBL6925547 0.83 KMT2A (0.60) LMNANR1H4POLBMEN1KMT2A
SCHEMBL6925253 0.83 TP53 (0.58) SMN1; SMN2RAB9ALMNAPOLBMEN1
SCHEMBL6932582 0.83 NR1H4 (0.60) SMN1; SMN2NR1H4PTPN1DEGS1TRPV1
SCHEMBL6932585 0.83 NR1H4 (0.60) SMN1; SMN2NR1H4PTPN1DEGS1TRPV1

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 SMN1; SMN2 208/4885RAB9A 2177/4885FFAR1 2014/4885

“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.