SCHEMBL9965936

SCHEMBL9965936

CCC(C)C(=O)NCCOC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.43
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL14064906 0.89 MEN1 (0.58) USP2TSHRMEN1KMT2APOLB
SCHEMBL15856107 0.87 TSHR (0.46) USP2TSHRMEN1KMT2AHPGD
SCHEMBL21393327 0.85 TSHR (0.47) USP2TSHRMEN1KMT2APOLB
SCHEMBL27051337 0.84 KMT2A (0.46) USP2TSHRMEN1KMT2AGAA
SCHEMBL17853874 0.84 KMT2A (0.66) USP2TSHRMEN1KMT2AGAA
SCHEMBL14153993 0.83 TSHR (0.61) USP2TSHRMEN1KMT2AGAA
SCHEMBL21401134 0.82 MEN1 (0.44) USP2TSHRMEN1KMT2APOLB
SCHEMBL14153997 0.82 KMT2A (0.44) USP2TSHRMEN1KMT2AGAA
SCHEMBL22652506 0.82 MEN1 (0.44) USP2TSHRMEN1KMT2APOLB
SCHEMBL13199295 0.82 LPAR1 (0.43) USP2TSHRMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 US disclosed
EP-3770225-A1 AQUEOUS INK COMPOSITION, INK SET, AND IMAGE FORMING METHOD Fujifilm Corporation (JP) 2021-01-27 EP disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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 (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-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 USP2 4207/4885TSHR 331/4885MEN1 4791/4885
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 USP2 3924/4885TSHR 679/4885MEN1 1541/4885

“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.