SCHEMBL3277549

SCHEMBL3277549

CC(C)(C)OC(=O)N1C=COCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.38
ESR2 Q92731 1/20 0.35
CTSK P43235 1/20 0.35
NR1H2 P55055 1/20 0.35
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
GPR119 Q8TDV5 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM5 P41594 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL27423893 0.90 USP2 (0.44) USP2SMN1; SMN2RECQLESR2CTSK
SCHEMBL9185491 0.82 USP2 (0.41) USP2SMN1; SMN2RECQLESR2CTSK
SCHEMBL29550355 0.80 TSHR (0.31) MEN1KMT2A
SCHEMBL3921646 0.78 USP2 (0.38) USP2SMN1; SMN2RECQL
SCHEMBL1601359 0.73 USP2 (0.42) USP2SMN1; SMN2RECQLESR2CTSK
SCHEMBL315722 0.72 USP2 (0.54) USP2SMN1; SMN2RECQLESR2CTSK
SCHEMBL28898488 0.72 USP2 (0.39) USP2SMN1; SMN2RECQLESR2CTSK
SCHEMBL25373469 0.71 CHRM2 (0.42) USP2SMN1; SMN2RECQLCTSKHPGD
SCHEMBL30805636 0.71 USP2 (0.38) USP2SMN1; SMN2RECQLESR2CTSK
SCHEMBL29162611 0.71 USP2 (0.38) USP2SMN1; SMN2RECQLESR2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114302886-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-04-08 CN disclosed
US-7696349-B2 Method for asymmetric synthesis BASF SE (DE) 2010-04-13 US disclosed
US-20090326226-A1 METHOD FOR ASYMMETRIC SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 2009-12-31 US disclosed
EP-1689760-B1 METHOD FOR ASYMMETRIC SYNTHESIS BASF SE (DE) 2009-10-28 EP disclosed
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2009-09-10 US disclosed
EP-2057109-A2 ADDITION REACTIONS USING TRANSITION METAL CATALYSTS IN HALOGENATED SOLVENTS BASF SE (DE) 2009-05-13 EP disclosed
US-7442842-B2 Method for asymmetric synthesis BASF SE (DE) 2008-10-28 US disclosed
WO-2008046918-A2 ADDITION REACTIONS USING TRANSITION METAL CATALYSTS IN HALOGENATED SOLVENTS BASF SE (DE) 2008-04-24 WO disclosed
WO-2008031889-A2 PNICOGEN-CONTAINING PSEUDOCHELATING LIGANDS BASF SE (DE) 2008-03-20 WO disclosed
EP-1807437-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2007-07-18 EP disclosed
US-20070073092-A1 Method for asymmetric synthesis BASF AKTIENGESELLSCHAFT (DE) 2007-03-29 US disclosed
EP-1689760-A1 METHOD FOR ASYMMETRIC SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 2006-08-16 EP disclosed
WO-2006045597-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION BASF AKTIENGESELLSCHAFT (DE) 2006-05-04 WO disclosed
WO-2005051964-A1 METHOD FOR ASYMMETRIC SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 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 (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-20070073092-A1 Method for asymmetric synthesis COASY, PIN1, INF2 USP2 2693/4885SMN1; SMN2 4690/4885RECQL 3736/4885
US-20090227801-A1 LIGANDS FOR USE IN ASYMMETRIC HYDROFORMYLATION PFKFB3, PHPT1, PFKFB4 USP2 4396/4885SMN1; SMN2 4838/4885RECQL 3684/4885
US-20090326226-A1 METHOD FOR ASYMMETRIC SYNTHESIS COASY, PIN1, INF2 USP2 2693/4885SMN1; SMN2 4690/4885RECQL 3736/4885

“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.