SCHEMBL4092145

SCHEMBL4092145

Cc1csc(-c2cc3c(cc(C(=O)O)n3Cc3cccc(Br)c3)s2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TP53 P04637 3/20 0.42
ERCC5 P28715 2/20 0.42
FEN1 P39748 2/20 0.42
THRB P10828 2/20 0.42
ABCB11 O95342 1/20 0.39
CCR9 P51686 3/20 0.39
CCR2 P41597 4/20 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
GPR35 Q9HC97 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4086583 0.89 MAPT (0.51) MAPTTP53THRBALDH1A1POLB
SCHEMBL4104997 0.88 CCR2 (0.53) MAPTTP53ERCC5THRBABCB11
SCHEMBL4091787 0.80 CCR2 (0.36) MAPTTP53THRBABCB11CCR9
SCHEMBL4086498 0.74 TP53 (0.46) MAPTTP53THRBABCB11CCR9
SCHEMBL4092463 0.73 CCR2 (0.55) MAPTTP53THRBABCB11CCR9
SCHEMBL4098431 0.72 CCR2 (0.53) ERCC5CCR9CCR2GPR35
SCHEMBL4096205 0.71 MAPT (0.55) MAPTTP53THRBALDH1A1POLB
SCHEMBL4097166 0.70 CCR9 (0.45) MAPTTP53THRBABCB11CCR9
SCHEMBL4093522 0.70 CCR2 (0.53) MAPTTHRBABCB11CCR9CCR2
SCHEMBL7683277 0.68 ABCB11 (0.65) ABCB11CCR2

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 MAPT 54/4885TP53 1258/4885ERCC5 3540/4885

“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.