SCHEMBL4031071

SCHEMBL4031071

Fc1ccc(Br)c(CS)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.41
DPP4 P27487 2/20 0.36
PKM P14618 1/20 0.34
DCLRE1B Q9H816 1/20 0.34
RIPK1 Q13546 1/20 0.33
AGXT P21549 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PLEC Q15149 1/20 0.32
NR3C1 P04150 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
HTR2A P28223 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 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
SCHEMBL31021710 0.79 DPP4 (0.37) IDO1DPP4PKMRIPK1AGXT
SCHEMBL156831 0.79 DPP4 (0.37) IDO1DPP4PKMRIPK1AGXT
SCHEMBL29374861 0.79 DPP4 (0.37) IDO1DPP4PKMRIPK1AGXT
SCHEMBL12151763 0.77 DPP4 (0.36) IDO1DPP4PKMRIPK1AGXT
SCHEMBL3075261 0.77 DPP4 (0.36) IDO1DPP4PKMRIPK1AGXT
SCHEMBL5430076 0.77 PKM (0.38) IDO1DPP4PKMRIPK1AGXT
SCHEMBL322033 0.77 GABRA1 (0.39) DPP4PKMRIPK1KMT2AMEN1
SCHEMBL147653 0.77 DPP4 (0.36) IDO1DPP4PKMRIPK1AGXT
SCHEMBL558725 0.77 MPO (0.44) IDO1DPP4PKMRIPK1AGXT
SCHEMBL30227514 0.77 PKM (0.38) IDO1DPP4PKMRIPK1AGXT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-7064136-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
US-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 US disclosed
EP-1345899-A1 COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051807-A1 COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 WO 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-20040058916-A1 Compounds CYP11B2, CYP11B1, PCSK9 IDO1 3047/4885DPP4 456/4885PKM 379/4885

“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.