SCHEMBL4093410

SCHEMBL4093410

CCOc1ccc(-c2cccc(Cn3c(C(=O)O)cc4sc(-c5ccc(OCC)cc5)cc43)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
FFAR1 O14842 1/20 0.43
PPARD Q03181 1/20 0.43
CCR2 P41597 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
POLB P06746 2/20 0.41
PTGES O14684 1/20 0.41
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4093522 0.81 CCR2 (0.53) MAPTTHRBCCR2
SCHEMBL21822295 0.78 CCR9 (0.56) RXRARXRBCCR2NTRK1
SCHEMBL31689637 0.78 CCR9 (0.56) RXRARXRBCCR2NTRK1
SCHEMBL4086171 0.77 MAPT (0.61) TP53MAPTTHRBMEN1KMT2A
SCHEMBL4086498 0.76 TP53 (0.46) TP53MAPTTHRBCCR2SMN1; SMN2
SCHEMBL4097166 0.70 CCR9 (0.45) TP53MAPTTHRBCCR2
SCHEMBL7682483 0.70 CCR2 (0.58) CCR2
SCHEMBL4092463 0.69 CCR2 (0.55) TP53MAPTTHRBCCR2PTGES
SCHEMBL4097147 0.69 CCR2 (0.52) CCR2PTGES
SCHEMBL4104997 0.68 CCR2 (0.53) TP53MAPTTHRBCCR2PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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-20090069384-A1 THIENOPYRROLES USEFUL IN THE TREATMENT OF INFLAMMATION NPY5R, TH, PTGES TP53 1258/4885MAPT 54/4885THRB 291/4885

“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.