SCHEMBL18133384

SCHEMBL18133384

CC(=O)NC(CCC(N)=O)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ ALOX15 P16050 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DPP4 P27487 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ BMP1 P13497 1/20 0.38

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
SCHEMBL12661034 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM1ALOX15BLM
SCHEMBL24158322 0.92 SIRT5 (0.43) CHRM2CHRM4CHRM1ALOX15BLM
SCHEMBL17192782 0.87 SIRT5 (0.50) ALOX15BLMKDM4EMAPTTHRB
SCHEMBL5707637 0.86 ALOX15 (0.44) CHRM2CHRM4CHRM1ALOX15BLM
SCHEMBL287578 0.86 ALOX15 (0.53) ALOX15BLMKDM4EMAPTTHRB
SCHEMBL287577 0.86 ALOX15 (0.53) ALOX15BLMKDM4EMAPTTHRB
SCHEMBL6026388 0.86 ALOX15 (0.53) ALOX15BLMKDM4EMAPTTHRB
SCHEMBL6445997 0.86 ALOX15 (0.53) ALOX15BLMKDM4EMAPTTHRB
SCHEMBL1764311 0.85 SIRT5 (0.51) CHRM2CHRM4CHRM1ALOX15BLM
SCHEMBL1764312 0.85 SIRT5 (0.51) CHRM2CHRM4CHRM1ALOX15BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395244-A1 MITOGEN-ACTIVATED PROTEIN KINASE KINASE (MEK) DEGRADATION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2021-12-23 — — US disclosed
US-20160298105-A1 CELL SEPARATION METHOD USING A RELEASE SYSTEM FOR CELL-ANTIBODY-SUBSTRATE CONJUGATES CONTAINING A POLYETHYLENE GLYCOL SPACER UNIT MILTENYI BIOTEC GMBH (DE) 2016-10-13 — — 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 (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-20210395244-A1 MITOGEN-ACTIVATED PROTEIN KINASE KINASE (MEK) DEGRADATION COMPOUNDS AND METHODS OF USE MAP2K2, MAP2K1, MAP2K7 CHRM2 4182/4885CHRM4 4576/4885CHRM1 4450/4885

“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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