SCHEMBL4097562

SCHEMBL4097562

C#CC(c1ccccc1)n1c(C(=O)O)cc2sc(C#Cc3ccccc3)cc21.c1cc2ccc1-2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.32
FFAR1 O14842 1/20 0.30
LDHA P00338 2/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL4091077 0.87 FFAR1 (0.33) HNF4AFFAR1
SCHEMBL4091277 0.70 CCR2 (0.47) PTGES
SCHEMBL4097557 0.69 CCR2 (0.47) FFAR1PTGES
SCHEMBL4091073 0.67 CCR2 (0.38) FFAR1
SCHEMBL4096233 0.65 CCR2 (0.57)
SCHEMBL4102959 0.60 MAPT (0.58) PTGES
SCHEMBL6772043 0.59 KMT2A (0.38)
SCHEMBL10300111 0.58 APP (0.48)
SCHEMBL4407685 0.56 RAB9A (0.44) HNF4AFFAR1
SCHEMBL5667683 0.56 DHODH (0.61) HNF4AFFAR1

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 HNF4A 3038/4885FFAR1 3026/4885LDHA 3256/4885

“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.