SCHEMBL4097166

SCHEMBL4097166

Cc1ccc(-c2ccc(Cn3c(C(=O)O)cc4sc(-c5ccc(C)s5)cc43)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 4/20 0.45
TP53 P04637 2/20 0.43
ABCB11 O95342 3/20 0.43
GPR35 Q9HC97 1/20 0.43
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CCR2 P41597 7/20 0.41
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4086498 0.90 TP53 (0.46) CCR9TP53ABCB11GPR35MAPT
SCHEMBL4092463 0.87 CCR2 (0.55) CCR9TP53ABCB11MAPTTHRB
SCHEMBL4093522 0.82 CCR2 (0.53) CCR9ABCB11GPR35MAPTTHRB
SCHEMBL4093856 0.81 CCR2 (0.38) CCR9TP53GPR35MAPTTHRB
SCHEMBL4086171 0.73 MAPT (0.61) TP53MAPTTHRBHSD17B10
SCHEMBL7682880 0.73 ABCB11 (0.67) ABCB11CCR2
SCHEMBL4104997 0.72 CCR2 (0.53) CCR9TP53ABCB11MAPTTHRB
SCHEMBL7675047 0.71 TP53 (0.51) CCR9TP53ABCB11GPR35MAPT
SCHEMBL7683277 0.70 ABCB11 (0.65) ABCB11CCR2
SCHEMBL4093410 0.70 TP53 (0.44) TP53MAPTTHRBCCR2

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 CCR9 2391/4885TP53 1258/4885ABCB11 4077/4885

“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.