SCHEMBL18273752

SCHEMBL18273752

CC(C)(C)C(CC(=O)O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.36
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CACNA2D1 P54289 2/20 0.34
ADRA1A P35348 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
CYP2C19 P33261 1/20 0.33
PGD P52209 1/20 0.33
GABBR2 O75899 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
SCHEMBL8529151 0.83 ECE1 (0.33)
SCHEMBL8529154 0.83 ECE1 (0.33)
SCHEMBL8529461 0.83 ECE1 (0.33)
SCHEMBL15801119 0.82 ALDH1A1 (0.41) SLC22A6GABRR1LMNATDP1CACNA2D1
SCHEMBL1941444 0.80 TDP1 (0.43) SLC22A6GABRR1LMNATDP1CACNA2D1
SCHEMBL8853350 0.80 TDP1 (0.43) SLC22A6GABRR1LMNATDP1CACNA2D1
SCHEMBL1941442 0.80 TDP1 (0.43) SLC22A6GABRR1LMNATDP1CACNA2D1
SCHEMBL17307614 0.78 TDP1 (0.42) SLC22A6GABRR1LMNATDP1ADRA1A
SCHEMBL17426712 0.78 TDP1 (0.42) SLC22A6GABRR1LMNATDP1ADRA1A
SCHEMBL10722211 0.76 SLC22A6 (0.36) SLC22A6GABRR1LMNATDP1CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-01 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-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) KIF5B, KIF23, KIF2C SLC22A6 2732/4885GABRR1 858/4885LMNA 4372/4885

“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.