SCHEMBL18544376

SCHEMBL18544376

CC(C)(CNC(=O)CCN1C(=O)C=CC1=O)COCC(C)(C)CC(=O)NCC1CCC(CNC(=O)C(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.33
CNR2 P34972 7/20 0.33
ALDH1A1 P00352 1/20 0.31
CKS1B P61024 1/20 0.30
SKP1 P63208 1/20 0.30
SKP2 Q13309 1/20 0.30
KCNH2 Q12809 1/20 0.30
CACNA1I Q9P0X4 1/20 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
SCHEMBL18544643 0.87 AKT1 (0.31)
SCHEMBL24340762 0.81 MGLL (0.32)
SCHEMBL18544644 0.80 USP2 (0.35)
SCHEMBL22135513 0.80 MGLL (0.33) ALDH1A1
SCHEMBL23207887 0.80
SCHEMBL24340893 0.79 MGLL (0.32)
SCHEMBL24340793 0.79 SMN1; SMN2 (0.41) CNR1
SCHEMBL24183327 0.79
SCHEMBL25839706 0.79 AKT1 (0.33)
SCHEMBL26017312 0.78 TNKS (0.31) ALDH1A1

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-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES CENTROSE LLC (US) 2017-02-23 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-20170049908-A1 EXTRACELLULAR TARGETED DRUG CONJUGATES ENTPD1, ENTPD2, ENTPD3 CNR1 633/4885CNR2 512/4885ALDH1A1 1286/4885

“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.