SCHEMBL6925253

SCHEMBL6925253

O=C(O)CCC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 4/20 0.55
POLB P06746 3/20 0.55
LMNA P02545 2/20 0.55
NT5E P21589 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.54
HPGD P15428 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53

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
SCHEMBL6931350 0.89 TP53 (0.60) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6927758 0.87 NR4A2 (0.67) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL392858 0.85 NR4A2 (0.65) TP53SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6925547 0.84 KMT2A (0.60) TP53KMT2APOLBLMNAMEN1
SCHEMBL6925985 0.84 MITF (0.66) TP53NPC1RAB9AKMT2APOLB
SCHEMBL6926264 0.84 KMT2A (0.72) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL6929654 0.84 KDM4E (0.68) NPC1RAB9AKMT2APOLBLMNA
SCHEMBL6926767 0.83 MEN1 (0.57) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL6924368 0.83 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AKMT2APOLB
SCHEMBL10939703 0.83 NPC1 (0.76) SMN1; SMN2NPC1RAB9AKMT2APOLB

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 TP53 2228/4885SMN1; SMN2 208/4885NPC1 2628/4885

“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.