SCHEMBL8474870

SCHEMBL8474870

CC(C)(C)OC(=O)NCCOc1ccc(CCC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.60
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
CA9 Q16790 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 1/20 0.58
FFAR1 O14842 5/20 0.55
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 2/20 0.51
SUCNR1 Q9BXA5 3/20 0.51
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
PDK2 Q15119 1/20 0.47

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
SCHEMBL31606699 0.90 CA1 (0.54) CA12CA1CA2CA9L3MBTL1
SCHEMBL21430480 0.89 CA1 (0.59) CA12CA1CA2CA9ITGB3
SCHEMBL31108265 0.89 CA1 (0.55) CA12CA1CA2CA9L3MBTL1
SCHEMBL15391900 0.87 CA12 (0.63) CA12CA1CA2CA9L3MBTL1
SCHEMBL13907700 0.87 ALDH1A1 (0.68) CA12CA1CA2CA9L3MBTL1
SCHEMBL926118 0.87 CA12 (0.63) CA12CA1CA2CA9L3MBTL1
SCHEMBL4498509 0.86 CA2 (0.57) CA1CA2FFAR1KMT2AMAPT
SCHEMBL30521147 0.85 CA1 (0.60) CA12CA1CA2CA9FFAR1
SCHEMBL21430470 0.85 CA12 (0.58) CA12CA1CA2CA9L3MBTL1
Hydrochloric Acid SCHEMBL21410052 0.84 CA12 (0.57) CA12CA1CA2CA9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 EP disclosed
CN-119684280-A Targeting protein arginine methylation proximity-induced small molecule chimeric platform MeTAG and application thereof 西安交通大学医学院第一附属医院 2025-03-25 CN disclosed
WO-2024163691-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC (US) 2024-08-08 WO disclosed
US-20190343873-A1 SEQUENCE-SELECTIVE GENE EXPRESSION REGULATORS KYOTO UNIVERSITY (JP) 2019-11-14 US disclosed
US-20190343873-A1 SEQUENCE-SELECTIVE GENE EXPRESSION REGULATORS KYOTO UNIVERSITY (JP) 2019-11-14 US disclosed
WO-2019189419-A1 ANTI-CANCER AGENT-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2019-10-03 WO disclosed
US-5977124-A β-adrenergic agonists PFIZER INC. (US) 1999-11-02 US disclosed
EP-0828712-A1 BETA-ADRENERGIC AGONISTS PFIZER INC. (US) 1998-03-18 EP disclosed
EP-0824519-A1 BETA-ADRENERGIC AGONISTS PFIZER INC. (US) 1998-02-25 EP disclosed
WO-1996035671-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 WO disclosed
WO-1996035670-A1 β-ADRENERGIC AGONISTS PFIZER INC. (US) 1996-11-14 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-20190343873-A1 SEQUENCE-SELECTIVE GENE EXPRESSION REGULATORS BRDT, BRPF3, BAZ2A CA12 2418/4885CA1 2126/4885CA2 4032/4885

“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.