SCHEMBL658185

SCHEMBL658185

CC(=O)OCOC(=O)C(COC(C)=O)(C(=O)O)C(CC(=O)c1ccc(I)cc1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.35
PDPK1 O15530 3/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FABP2 P12104 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
USP5 P45974 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
SCHEMBL658601 0.91 PDPK1 (0.41) L3MBTL1POLBCYP2C9CYP2C19KMT2A
SCHEMBL656175 0.90 KMT2A (0.47) L3MBTL1POLBCYP2C9CYP2C19KMT2A
SCHEMBL657877 0.89 CYP2C9 (0.50) L3MBTL1POLBCYP2C9CYP2C19KMT2A
SCHEMBL658836 0.89 UTS2R (0.39) L3MBTL1POLBCYP2C9CYP2C19KMT2A
SCHEMBL657976 0.85 PDPK1 (0.49) L3MBTL1CYP2C9KMT2APDPK1
SCHEMBL657804 0.81 SRD5A2 (0.38) L3MBTL1POLBKMT2AALDH1A1
SCHEMBL657352 0.79 PDPK1 (0.47) CYP2C9CYP2C19KMT2APDPK1ALDH1A1
SCHEMBL659012 0.77 GLA (0.41) POLBCYP2C19KMT2APDPK1ALDH1A1
SCHEMBL658184 0.76 PDPK1 (0.49) L3MBTL1POLBCYP2C9CYP2C19KMT2A
SCHEMBL656363 0.75 ALDH1A1 (0.45) L3MBTL1CYP2C19ALDH1A1

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-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB L3MBTL1 3302/4885POLB 4008/4885CYP2C9 4696/4885

“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.