SCHEMBL6931328

SCHEMBL6931328

CCCCCCCc1ccc(C(=O)Nc2ccc(C(=O)CCC(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.64
NR1H4 Q96RI1 2/20 0.60
S1PR1 P21453 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
THRA P10827 5/20 0.58
THRB P10828 5/20 0.58
KDM4E B2RXH2 1/20 0.57
HAO1 Q9UJM8 1/20 0.56
PLK1 P53350 3/20 0.55
PLK3 Q9H4B4 3/20 0.55

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
SCHEMBL6927630 1.00 TRPV1 (0.64) TRPV1NR1H4S1PR1L3MBTL1THRA
SCHEMBL2186629 0.91 TRPV1 (0.68) TRPV1NR1H4S1PR1THRATHRB
SCHEMBL3145220 0.88 L3MBTL1 (0.76) S1PR1L3MBTL1THRATHRBHAO1
SCHEMBL3130654 0.88 L3MBTL1 (0.76) S1PR1L3MBTL1THRATHRBHAO1
SCHEMBL9356282 0.88 L3MBTL1 (0.76) S1PR1L3MBTL1THRATHRBHAO1
SCHEMBL9815969 0.88 L3MBTL1 (0.76) S1PR1L3MBTL1THRATHRBHAO1
SCHEMBL10523939 0.88 L3MBTL1 (0.76) S1PR1L3MBTL1THRATHRBHAO1
SCHEMBL3145641 0.88 L3MBTL1 (0.76) S1PR1L3MBTL1THRATHRBHAO1
SCHEMBL3135443 0.87 L3MBTL1 (0.78) S1PR1L3MBTL1THRATHRBHAO1
SCHEMBL6931226 0.86 TRPV1 (0.58) TRPV1NR1H4S1PR1THRATHRB

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 2634/4885NR1H4 3620/4885S1PR1 2804/4885

“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.