SCHEMBL3906191

SCHEMBL3906191

CC(C)(C)OC(=O)N[C@H](CCCO)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.55
CTSK P43235 4/20 0.55
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
SYK P43405 1/20 0.52
CTSS P25774 4/20 0.52
MAPT P10636 1/20 0.51
PPARG P37231 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50

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
SCHEMBL953788 1.00 PPARA (0.55) PPARACTSKKLK7KLK5SYK
SCHEMBL693646 1.00 PPARA (0.55) PPARACTSKKLK7KLK5SYK
Alcohol SCHEMBL692835 0.98 CTSK (0.55) PPARACTSKKLK7KLK5SYK
SCHEMBL5970352 0.96 KLK7 (0.54) PPARACTSKKLK7KLK5SYK
SCHEMBL8615707 0.96 KLK7 (0.54) PPARACTSKKLK7KLK5SYK
SCHEMBL1094804 0.93 PPARA (0.57) PPARACTSKKLK7KLK5SYK
SCHEMBL13205156 0.93 PPARA (0.57) PPARACTSKKLK7KLK5SYK
SCHEMBL1094803 0.93 PPARA (0.57) PPARACTSKKLK7KLK5SYK
SCHEMBL7222412 0.90 SYK (0.55) PPARACTSKKLK7KLK5SYK
SCHEMBL5970655 0.90 SYK (0.55) PPARACTSKKLK7KLK5SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4180438-A1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS Cancer Targeted Technology LLC (US) 2023-05-17 EP disclosed
EP-3560937-A1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS Cancer Targeted Technology LLC (US) 2019-10-30 EP disclosed
US-9566312-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2017-02-14 US disclosed
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2015-10-29 US disclosed
EP-2809655-B1 BENZIIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER (US) 2015-08-12 EP disclosed
US-9072696-B2 Cyclic peptides and use as medicines NOVARTIS AG (CH) 2015-07-07 US disclosed
US-8927587-B2 Chemical compounds PFIZER LIMITED (GB) 2015-01-06 US disclosed
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES NOVARTIS AG (CH) 2014-05-15 US disclosed
US-20130274243-A1 Chemical Compounds PFIZER LTD (GB) 2013-10-17 US disclosed
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
WO-1998050421-A1 ANALGESIC PEPTIDOMIMETIC COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1998-11-12 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-20130274243-A1 Chemical Compounds SCN8A, SCN5A, KCNJ8 PPARA 4206/4885CTSK 2785/4885KLK7 3066/4885
US-20140134132-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, FKBP1B PPARA 3576/4885CTSK 3379/4885KLK7 3469/4885
US-20150306172-A1 CYCLIC PEPTIDES AND USE AS MEDICINES PPIF, VIP, MAVS PPARA 3310/4885CTSK 3303/4885KLK7 3599/4885

“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.