SCHEMBL22973014

SCHEMBL22973014

CC(=O)OSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.43
▸ KCNN4 O15554 1/20 0.42
▸ KIF11 P52732 11/20 0.41
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL4599451 0.82 ELANE (0.41) CES1KCNN4KIF11MAPTKMT2A
SCHEMBL4602166 0.76 THRB (0.40) KCNN4KIF11ALDH1A1CYP1A2
SCHEMBL27415070 0.72 KIF11 (0.45) CES1KCNN4KIF11MAPTKMT2A
SCHEMBL580603 0.71 KIF11 (0.43) KCNN4KIF11ALDH1A1ALOX15
SCHEMBL17253343 0.69 KIF11 (0.54) KIF11ALDH1A1
SCHEMBL6812910 0.69 KIF11 (0.43) KIF11MAPTKMT2ACYP1A2
SCHEMBL1096837 0.68 KCNN4 (0.47) CES1KCNN4KIF11MAPTKMT2A
SCHEMBL5666953 0.68 KCNN4 (0.47) CES1KCNN4MAPTKMT2AALDH1A1
SCHEMBL11379208 0.68 CYP2C19 (0.52) CES1KCNN4MAPTKMT2AALDH1A1
SCHEMBL5355354 0.68 ALDH1A1 (0.45) CES1MAPTALDH1A1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905236-B2 Dynamic combinatorial library based on pseudopeptides and its use for the detection of cysteine and other biothiols CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2024-02-20 — — US disclosed
CN-116940585-A Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2023-10-24 — — CN disclosed
EP-3779449-B1 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS CONSEJO SUPERIOR INVESTIGACION (ES) 2022-02-23 — — EP disclosed
US-20210139419-A1 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2021-05-13 — — US disclosed
EP-3779449-A2 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2021-02-17 — — EP 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-20210139419-A1 DYNAMIC COMBINATORIAL LIBRARY BASED ON PSEUDOPEPTIDES AND ITS USE FOR THE DETECTION OF CYSTEINE AND OTHER BIOTHIOLS PTMS, LNPEP, CTH CES1 3458/4885KCNN4 3542/4885KIF11 4073/4885
US-11905236-B2 Dynamic combinatorial library based on pseudopeptides and its use for the detection of cysteine and other biothiols PTMS, LNPEP, CTH CES1 3458/4885KCNN4 3542/4885KIF11 4073/4885

“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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