SCHEMBL4086498

SCHEMBL4086498

Cc1ccc(-c2cccc(Cn3c(C(=O)O)cc4sc(-c5ccc(C)s5)cc43)c2)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
CCR9 P51686 2/20 0.40
CCR2 P41597 8/20 0.40
ABCB11 O95342 1/20 0.39
SERPINE1 P05121 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4097166 0.90 CCR9 (0.45) TP53MAPTTHRBCCR9CCR2
SCHEMBL4092463 0.88 CCR2 (0.55) TP53MAPTTHRBCCR9CCR2
SCHEMBL4093856 0.81 CCR2 (0.38) TP53MAPTTHRBCCR9CCR2
SCHEMBL4093522 0.77 CCR2 (0.53) MAPTTHRBCCR9CCR2ABCB11
SCHEMBL4093410 0.76 TP53 (0.44) TP53MAPTTHRBCCR2ALDH1A1
SCHEMBL4092145 0.74 MAPT (0.42) TP53MAPTTHRBCCR9CCR2
SCHEMBL4104997 0.74 CCR2 (0.53) TP53MAPTTHRBCCR9CCR2
SCHEMBL7682483 0.72 CCR2 (0.58) CCR2ABCB11
SCHEMBL4093394 0.72 CCR2 (0.55) CCR9CCR2
SCHEMBL4097147 0.71 CCR2 (0.52) CCR9CCR2ABCB11

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.