SCHEMBL6926103

SCHEMBL6926103

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.50
EPHX2 P34913 3/20 0.50
MMP1 P03956 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PTGS1 P23219 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL6930455 0.86 FAAH (0.56) ALDH1A1NPC1RAB9AFAAHPOLB
SCHEMBL6931300 0.84 NPC1 (0.65) TRPV1EPHX2MMP1PTPN1NPC1
SCHEMBL6931428 0.84 ALDH1A1 (0.59) ALDH1A1RAB9AFAAHPOLB
SCHEMBL6926773 0.83 ALDH1A1 (0.62) MMP1L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6931395 0.83 TP53 (0.52) MMP1ALDH1A1NPC1RAB9APOLB
SCHEMBL6930634 0.83 KMT2A (0.62) ALDH1A1NPC1RAB9AFAAHPOLB
SCHEMBL6931746 0.83 KMT2A (0.52) ALDH1A1RAB9APOLB
SCHEMBL5060636 0.81 MMP1 (0.67) EPHX2MMP1L3MBTL1ALDH1A1PTPN1
SCHEMBL27948244 0.80 ALDH1A1 (0.67) TRPV1EPHX2ALDH1A1NPC1RAB9A
SCHEMBL7857488 0.76 SMN1; SMN2 (0.66) MMP1L3MBTL1ALDH1A1PTPN1RAB9A

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 TRPV1 2634/4885EPHX2 4139/4885MMP1 1/4885

“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.