SCHEMBL6925985

SCHEMBL6925985

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.66
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
PTPN1 P18031 1/20 0.63
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
TP53 P04637 1/20 0.58
ATM Q13315 1/20 0.56
SNCA P37840 1/20 0.55
CXCR1 P25024 1/20 0.54
CXCR2 P25025 1/20 0.54
FOLH1 Q04609 1/20 0.54
LMNA P02545 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KCNK3 O14649 1/20 0.53
KCNK9 Q9NPC2 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
SCHEMBL6932000 0.89 TP53 (0.60) MITFRAB9ANPC1MEN1KMT2A
SCHEMBL6927758 0.87 NR4A2 (0.67) RAB9ANPC1PTPN1MEN1KMT2A
SCHEMBL6931300 0.85 NPC1 (0.65) RAB9ANPC1PTPN1
SCHEMBL315309 0.85 RAB9A (0.69) RAB9ANPC1PTPN1KMT2ATP53
SCHEMBL6925253 0.84 TP53 (0.58) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6926264 0.84 KMT2A (0.72) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL6925547 0.84 KMT2A (0.60) MEN1KMT2APOLBTDP1TP53
SCHEMBL6925556 0.84 NPC1 (0.64) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL6925550 0.83 SNCA (0.60) MITFRAB9ANPC1MEN1KMT2A
SCHEMBL6931508 0.83 HDAC3 (0.60) MITFRAB9AMEN1KMT2ATP53

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 MITF 1244/4885RAB9A 2177/4885NPC1 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.