SCHEMBL4091077

SCHEMBL4091077

O=C(O)c1cc2sc(C#Cc3ccccc3)cc2n1C(C#Cc1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HNF4A P41235 1/20 0.32
GFER P55789 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL4097562 0.87 HNF4A (0.32) FFAR1HNF4A
SCHEMBL4102964 0.74 TSHR (0.43) ALDH1A1TDP1HSD17B10
SCHEMBL4097557 0.72 CCR2 (0.47) FFAR1ALOX5
SCHEMBL4091277 0.70 CCR2 (0.47)
SCHEMBL4091073 0.70 CCR2 (0.38) FFAR1
SCHEMBL4096233 0.68 CCR2 (0.57)
SCHEMBL4102959 0.62 MAPT (0.58) ALOX5ALDH1A1TDP1
SCHEMBL10300111 0.60 APP (0.48) ALDH1A1HSD17B10
SCHEMBL4407685 0.58 RAB9A (0.44) FFAR1ALDH1A1HNF4A
SCHEMBL29270348 0.57 APP (0.42) FFAR1ALDH1A1TDP1HSD17B10

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 FFAR1 3026/4885ALOX5 188/4885ALDH1A1 2718/4885

“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.