SCHEMBL4092410

SCHEMBL4092410

O=C(O)CC(NC(=O)c1ccccc1OCc1ccc(-c2ccccc2)cc1)c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.53
KIFC1 Q9BW19 1/20 0.52
MMP12 P39900 1/20 0.49
CTSA P10619 2/20 0.48
GPR34 Q9UPC5 2/20 0.48
ACACB O00763 1/20 0.47
SGMS2 Q8NHU3 2/20 0.46
GNA15 P30679 1/20 0.46

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
SCHEMBL27638043 0.95 SGMS2 (0.52) FFAR1KIFC1SGMS2
SCHEMBL27638080 0.88 FFAR1 (0.50) FFAR1SGMS2
SCHEMBL5927406 0.87 LRRK2 (0.49) FFAR1KIFC1MMP12GPR34
SCHEMBL5927212 0.84 FFAR1 (0.56) FFAR1MMP12CTSAACACB
SCHEMBL3974468 0.84 KIFC1 (0.70) FFAR1KIFC1GPR34
SCHEMBL5926998 0.83 LRRK2 (0.49) KIFC1CTSA
SCHEMBL5926919 0.82 LRRK2 (0.48) KIFC1
SCHEMBL3971467 0.81 KIFC1 (0.59) FFAR1KIFC1GPR34
SCHEMBL3973755 0.81 KIFC1 (0.59) FFAR1KIFC1GPR34
SCHEMBL6182302 0.79 SMN1; SMN2 (0.58) FFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 US disclosed
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 FFAR1 517/4885KIFC1 4686/4885MMP12 2788/4885

“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.