SCHEMBL6931300

SCHEMBL6931300

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
TRPV1 Q8NER1 3/20 0.61
PTGS1 P23219 2/20 0.61
EPHX2 P34913 3/20 0.60
RORC P51449 1/20 0.60
MMP1 P03956 1/20 0.57
HIF1A Q16665 1/20 0.54
EPAS1 Q99814 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
PTPN1 P18031 1/20 0.53
TRPV4 Q9HBA0 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.52
MAPT P10636 1/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KCNQ3 O43525 1/20 0.51

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
SCHEMBL5060636 0.87 MMP1 (0.67) RAB9AEPHX2MMP1HIF1AHDAC8
SCHEMBL6926215 0.85 NR1H4 (0.72) NPC1RAB9ATRPV1EPHX2HDAC3
SCHEMBL6925985 0.85 MITF (0.66) NPC1RAB9APTPN1
SCHEMBL6931500 0.85 GPR27 (0.56) NPC1RAB9ATRPV1PTGS1EPHX2
SCHEMBL6927758 0.84 NR4A2 (0.67) NPC1RAB9AHIF1ANR1H4PTPN1
SCHEMBL6926103 0.84 TRPV1 (0.50) NPC1RAB9ATRPV1PTGS1EPHX2
SCHEMBL7513604 0.84 TRPV1 (0.83) NPC1RAB9ATRPV1PTGS1EPHX2
SCHEMBL7857488 0.83 SMN1; SMN2 (0.66) RAB9AMMP1HIF1AHDAC8PTPN1
SCHEMBL6925253 0.82 TP53 (0.58) NPC1RAB9AHDAC3HDAC8HDAC6
SCHEMBL6926264 0.82 KMT2A (0.72) NPC1RAB9ANR1H4MAPT

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 NPC1 2628/4885RAB9A 2177/4885TRPV1 2634/4885

“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.