SCHEMBL18273753

SCHEMBL18273753

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.37
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
GRIK1 P39086 3/20 0.34
SLC7A5 Q01650 2/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
GRIK2 Q13002 1/20 0.30
GABRR1 P24046 2/20 0.30

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
SCHEMBL16682790 1.00 ECE1 (0.37) ECE1ALDH1A1MAPTPTGS1GRIK1
SCHEMBL20363304 0.86 ECE1 (0.33) ECE1ALDH1A1MAPTPTGS1GRIK1
SCHEMBL8529151 0.83 ECE1 (0.33) ECE1ALDH1A1
SCHEMBL8529154 0.83 ECE1 (0.33) ECE1ALDH1A1
SCHEMBL8529461 0.83 ECE1 (0.33) ECE1ALDH1A1
SCHEMBL8853350 0.80 TDP1 (0.43) MAPTGRIK1BLMGABRR1
SCHEMBL1941444 0.80 TDP1 (0.43) MAPTGRIK1BLMGABRR1
SCHEMBL1941442 0.80 TDP1 (0.43) MAPTGRIK1BLMGABRR1
SCHEMBL10034713 0.79 ECE1 (0.34) ECE1
SCHEMBL1705139 0.79 ECE1 (0.34) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654815-B2 Urea compound and preparation method and application thereof SHENZHEN CHIPSCREEN BIOSCIENCES CO., LTD. (CN) 2020-05-19 US disclosed
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 (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-10654815-B2 Urea compound and preparation method and application thereof PDCD1, CD274, PDCD10 ECE1 1181/4885ALDH1A1 422/4885MAPT 666/4885
US-20160346402-A1 ANTIBODY DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) KIF5B, KIF23, KIF2C ECE1 1833/4885ALDH1A1 924/4885MAPT 127/4885

“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.