SCHEMBL12221123

SCHEMBL12221123

C=CCOC(=O)[C@H](CCCCN)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.53
▸ KMT2A Q03164 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ MDM4 O15151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MDM2 Q00987 4/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL29398713 1.00 TLR2 (0.53) TLR2KMT2AHDAC1HDAC2MDM4
SCHEMBL31004028 1.00 TLR2 (0.53) TLR2KMT2AHDAC1HDAC2MDM4
SCHEMBL12221104 1.00 TLR2 (0.53) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL29217894 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL30202339 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL25358748 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL30003033 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL25358745 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
Hydrochloric Acid SCHEMBL29401186 0.99 TLR2 (0.54) TLR2KMT2AHDAC1HDAC2MDM4
SCHEMBL30819043 0.97 TLR2 (0.50) TLR2KMT2AHDAC1HDAC2MDM4

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 — — US disclosed
US-9295732-B2 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists INVIVOGEN (FR) 2016-03-29 — — US disclosed
US-9295732-B2 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists INVIVOGEN (FR) 2016-03-29 — — US disclosed
US-9139862-B2 Fluorescent cyclic peptides, preparation method thereof and use of these peptides for measuring the enzymatic activity of a protease enzyme COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-09-22 — — US disclosed
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists CAYLA (FR) 2014-08-28 — — US disclosed
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists CAYLA (FR) 2014-08-28 — — US disclosed
US-20110256567-A1 FLUORESCENT CYCLIC PEPTIDES, PREPARATION METHOD THEREOF AND USE OF THESE PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME UNIVERSITE VICTOR SEGALEN - BORDEAUX 2 (FR) 2011-10-20 — — 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 (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-20110256567-A1 FLUORESCENT CYCLIC PEPTIDES, PREPARATION METHOD THEREOF AND USE OF THESE PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME CTRL, PREP, PEPD TLR2 3301/4885KMT2A 4375/4885HDAC1 2812/4885
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists TLR7, TLR8, TLR9 TLR2 6/4885KMT2A 396/4885HDAC1 309/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TLR2 4097/4885KMT2A 3415/4885HDAC1 3939/4885

“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.

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