SCHEMBL4096172

SCHEMBL4096172

O=C(O)c1c(I)c2sc(Br)cc2n1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.35
PTGES O14684 1/20 0.34
PTGER1 P34995 1/20 0.33
CMA1 P23946 1/20 0.32
USP2 O75604 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR183 P32249 1/20 0.32
CYP2D6 P10635 3/20 0.32
TSHR P16473 3/20 0.32
CCR2 P41597 2/20 0.32
CYP3A4 P08684 2/20 0.32
CCR9 P51686 1/20 0.32
HPGD P15428 1/20 0.32
FOLH1 Q04609 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER2 P43116 1/20 0.31

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
SCHEMBL4086401 0.70 SERPINE1 (0.39) PTGESCCR9FOLH1
SCHEMBL6300362 0.62 MAPT (0.57) FEN1CCR2FOLH1PTGER4LMNA
SCHEMBL2806816 0.61 SERPINE1 (0.60) FOLH1
SCHEMBL31359465 0.60 TAS2R14 (0.42) USP2CYP2C19HPGDKDM4EALDH1A1
SCHEMBL26602426 0.60 TAS2R14 (0.42) USP2CYP2C19HPGDKDM4EALDH1A1
SCHEMBL2184752 0.58 CA12 (0.44) USP2CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL24482780 0.57 CCR2 (0.65) CCR2FOLH1PTGER4
SCHEMBL504122 0.57 RXRA (0.68) LMNARXRARXRBRXRG
SCHEMBL5795073 0.56 HSP90AA1 (0.53) USP2CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL2930604 0.56 USP2 (0.59) USP2CYP1A2CYP2C19CYP2D6TSHR

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 FEN1 4696/4885PTGES 3/4885PTGER1 187/4885

“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.