SCHEMBL4091073

SCHEMBL4091073

O=C(O)c1cc2sc(C#Cc3ccccc3)cc2n1Cc1ccccc1C#Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.38
FFAR1 O14842 6/20 0.36
GPR35 Q9HC97 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FEN1 P39748 1/20 0.34
ABCB11 O95342 1/20 0.33
MAPT P10636 2/20 0.33
CCR9 P51686 1/20 0.33

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
SCHEMBL4097557 0.85 CCR2 (0.47) CCR2FFAR1GPR35FFAR4ABCB11
SCHEMBL4091277 0.83 CCR2 (0.47) CCR2GPR35ABCB11MAPTCCR9
SCHEMBL4096233 0.80 CCR2 (0.57) CCR2GPR35ABCB11MAPTCCR9
SCHEMBL4102959 0.72 MAPT (0.58) MAPT
SCHEMBL4091077 0.70 FFAR1 (0.33) FFAR1
SCHEMBL4086732 0.68 MAPT (0.55) CCR2MAPT
SCHEMBL4097562 0.67 HNF4A (0.32) FFAR1
SCHEMBL4093856 0.64 CCR2 (0.38) CCR2GPR35MAPTCCR9
SCHEMBL4091787 0.62 CCR2 (0.36) CCR2GPR35ABCB11MAPTCCR9
SCHEMBL4093522 0.62 CCR2 (0.53) CCR2GPR35ABCB11MAPTCCR9

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 CCR2 1118/4885FFAR1 3026/4885GPR35 1507/4885

“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.