SCHEMBL3489800

SCHEMBL3489800

CC1(C)OB(c2cc(Cl)c3c(c2)NC(=O)CO3)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 5/20 0.40
NR3C1 P04150 3/20 0.40
NR3C2 P08235 3/20 0.40
IL4I1 Q96RQ9 1/20 0.39
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
MMP12 P39900 1/20 0.36
AR P10275 1/20 0.35
PARP1 P09874 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
PKM P14618 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3490246 0.89 NR3C2 (0.40) PGRNR3C1NR3C2IL4I1PDE3B
SCHEMBL3489251 0.85 PGR (0.42) PGRNR3C1NR3C2PDE3BPDE3A
SCHEMBL30905978 0.76 MMP12 (0.57) PGRNR3C1NR3C2PDE3BPDE3A
SCHEMBL426743 0.76 MMP12 (0.57) PGRNR3C1NR3C2PDE3BPDE3A
SCHEMBL20278370 0.74 PDE3B (0.55) PGRNR3C1NR3C2IL4I1PDE3B
SCHEMBL391545 0.74 NR3C2 (0.42) NR3C2PDE3BPDE3AMMP12PARP1
SCHEMBL30284843 0.73 CYP11B1 (0.47) PDE3BPDE3AMMP12PARP1PKM
SCHEMBL421621 0.73 CYP11B1 (0.47) PDE3BPDE3AMMP12PARP1PKM
SCHEMBL3600619 0.71 IL4I1 (0.44) PGRNR3C1NR3C2IL4I1PDE3B
SCHEMBL8236302 0.71 IL4I1 (0.44) PGRNR3C1NR3C2IL4I1PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 EP disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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 (3 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 PGR 107/4885NR3C1 3/4885NR3C2 1/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R PGR 408/4885NR3C1 2/4885NR3C2 1/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN PGR 3320/4885NR3C1 415/4885NR3C2 404/4885

“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.