SCHEMBL3489569

SCHEMBL3489569

CC1(C)OB(c2ccc3c(c2F)NC(=O)CO3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 13/20 0.39
MMP12 P39900 1/20 0.38
PARP1 P09874 1/20 0.36
PGR P06401 4/20 0.35
NR3C1 P04150 3/20 0.35
HTR1A P08908 2/20 0.35
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
SLC6A4 P31645 1/20 0.35
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL3489669 0.85 NR3C2 (0.48) NR3C2MMP12PARP1MTNR1AMTNR1B
SCHEMBL3488307 0.84 NR3C2 (0.39) NR3C2MMP12PARP1PGRNR3C1
SCHEMBL25197491 0.78 AHR (0.36)
SCHEMBL3489001 0.77 NR3C1 (0.33) NR3C2PGRNR3C1ALDH1A1
SCHEMBL13035940 0.77 ADRA2A (0.35) ALDH1A1
SCHEMBL14080066 0.75 MMP12 (0.49) NR3C2MMP12PARP1PGRNR3C1
SCHEMBL4095480 0.75 MMP12 (0.44) NR3C2MMP12PARP1PGRHTR1A
SCHEMBL15053068 0.73 DRD2 (0.43) NR3C2MMP12PARP1ALDH1A1KMT2A
SCHEMBL18112976 0.73 MMP12 (0.44) NR3C2MMP12PARP1PGRNR3C1
SCHEMBL8182873 0.72 NR3C2 (0.42) NR3C2MMP12PARP1PGRNR3C1

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 7 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-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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 (2 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 NR3C2 1/4885MMP12 1824/4885PARP1 4374/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN NR3C2 404/4885MMP12 168/4885PARP1 4531/4885

“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.