SCHEMBL3215042

SCHEMBL3215042

Cc1cccc(C#Cc2cc(C(=O)NC(CCc3ccccc3)C(=O)O)ccc2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
CTSB P07858 4/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
HTT P42858 2/20 0.43
PTGES O14684 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR132 Q9UNW8 2/20 0.43
FFAR1 O14842 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
GRN P28799 1/20 0.42

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
SCHEMBL3215269 0.91 PDK1 (0.52) PDK1PDK2PDK3PDK4CA1
SCHEMBL3217168 0.86 PDK1 (0.50) PDK1PDK2PDK3PDK4CA1
SCHEMBL3217924 0.81 PIN1 (0.50) CA1CA2GRNSORT1PIN1
SCHEMBL5841891 0.76 RAB9A (0.59) CTSBHTTALDH1A1GAAMAPT
SCHEMBL5841880 0.76 RAB9A (0.59) CTSBHTTALDH1A1GAAMAPT
SCHEMBL775406 0.74 GRN (0.56) CTSBCA1CA2GPR132CTSL
SCHEMBL3197482 0.74 GRN (0.56) CTSBCA1CA2GPR132CTSL
SCHEMBL18653914 0.74 LNPEP (0.49) PDK1PDK2PDK3PDK4GPR132
SCHEMBL15989177 0.74 LNPEP (0.49) PDK1PDK2PDK3PDK4GPR132
SCHEMBL3199823 0.74 PDK1 (0.53) PDK1PDK2PDK3PDK4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B PDK1 1103/4885PDK2 1177/4885PDK3 1406/4885

“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.