SCHEMBL5580073

SCHEMBL5580073

CCC(CC#N)OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
HRH1 P35367 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC18A3 Q16572 1/20 0.34
PRKCA P17252 2/20 0.33
IMPDH2 P12268 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 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
SCHEMBL14065014 1.00 TSHR (0.36) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL5580290 1.00 TSHR (0.36) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL19493385 0.83 PRKCA (0.40) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL7723645 0.82 AR (0.35) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL7719955 0.82 AR (0.35) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL7716828 0.82 AR (0.35) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL13491728 0.80 TDP1 (0.44) TSHRSMN1; SMN2LMNAMEN1CYP1A2
SCHEMBL28797081 0.80 MAPT (0.34) PRKCAIMPDH2MAPTCTSLCTSB
SCHEMBL28797083 0.80 MAPT (0.34) PRKCAIMPDH2MAPTCTSLCTSB
SCHEMBL1584634 0.79

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
WO-2024051119-A1 PREPARATION METHOD FOR 4-(HYDROXYMETHYLPHOSPHINYL)-2-OXOBUTYRIC ACID 浙江新安化工集团股份有限公司 2024-03-14 WO disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-20070037263-A1 Novel acetoacetyl-coa reductase and process for producing optically active alcohol KANEKA CORPORATION (JP) 2007-02-15 US disclosed
EP-1688480-A2 NOVEL ACETOACETYL-CoA REDUCTASE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL KANEKA CORPORATION (JP) 2006-08-09 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 (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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 TSHR 4770/4885SMN1; SMN2 2156/4885LMNA 2850/4885

“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.