SCHEMBL671969

SCHEMBL671969

Cc1ccc(Cl)c2[nH]cc(C=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
PIM3 Q86V86 7/20 0.37
CYP2A6 P11509 2/20 0.37
ADRA2A P08913 1/20 0.35
CLCN2 P51788 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
PIM1 P11309 5/20 0.33
PIM2 Q9P1W9 2/20 0.33
IMPDH2 P12268 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL29956106 0.85 CYP2A6 (0.41) TRIM24TRIM33PIM3CYP2A6ALDH1A1
SCHEMBL671586 0.85 CYP2A6 (0.41) TRIM24TRIM33PIM3CYP2A6ALDH1A1
SCHEMBL21218382 0.79 TRIM24 (0.47) TRIM24TRIM33PIM3CYP2A6ALDH1A1
SCHEMBL29952089 0.79 ERN1 (0.42) TRIM24TRIM33PIM3CYP2A6ALDH1A1
SCHEMBL29953700 0.79 CYP2A6 (0.37) TRIM24TRIM33PIM3CYP2A6ADRA2A
SCHEMBL27174896 0.79 CYP2A6 (0.47) TRIM24TRIM33PIM3CYP2A6ALDH1A1
SCHEMBL29955708 0.79 CYP2A6 (0.47) TRIM24TRIM33PIM3CYP2A6ALDH1A1
SCHEMBL29958363 0.79 KMT2A (0.45) TRIM24TRIM33ALDH1A1TSHRMAPT
SCHEMBL29954403 0.76 ERN1 (0.42) TRIM24TRIM33PIM3CYP2A6ALDH1A1
SCHEMBL2767098 0.76 TRIM24 (0.44) TRIM24TRIM33PIM3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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 (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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 TRIM24 4041/4885TRIM33 4655/4885PIM3 4212/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 TRIM24 4468/4885TRIM33 4709/4885PIM3 3857/4885

“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.