SCHEMBL6930455

SCHEMBL6930455

O=C(O)CCC(=O)c1ccc(NC(=O)Oc2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.56
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
TP53 P04637 1/20 0.52
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
THRB P10828 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6931428 0.87 ALDH1A1 (0.59) FAAHMEN1KMT2ATP53KDM4E
SCHEMBL6931746 0.86 KMT2A (0.52) MEN1KMT2ATP53KDM4EPOLB
SCHEMBL6926773 0.86 ALDH1A1 (0.62) MEN1KMT2ATP53POLBMAPT
SCHEMBL6931395 0.86 TP53 (0.52) MEN1KMT2ATP53POLBMAPT
SCHEMBL6930634 0.86 KMT2A (0.62) FAAHMEN1KMT2ATP53POLB
SCHEMBL6926103 0.86 TRPV1 (0.50) FAAHPOLBALDH1A1RAB9ANPC1
SCHEMBL6932000 0.83 TP53 (0.60) MEN1KMT2ATP53KDM4EPOLB
SCHEMBL6925985 0.81 MITF (0.66) MEN1KMT2ATP53POLBRAB9A
SCHEMBL315309 0.79 RAB9A (0.69) KMT2ATP53ALDH1A1RAB9ANPC1
Phenyl 4-Fluorophenylcarbamate SCHEMBL1892132 0.78 ALDH1A1 (0.70) FAAHMEN1KMT2ATP53KDM4E

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 FAAH 618/4885MEN1 3055/4885KMT2A 4700/4885

“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.