SCHEMBL19990403

SCHEMBL19990403

CC(C)(C)OC(=O)NCc1ncc(C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
HCAR2 Q8TDS4 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
GLS O94925 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NAMPT P43490 1/20 0.38
KDM4A O75164 1/20 0.38
GFER P55789 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
DYRK1A Q13627 1/20 0.37
CKS1B P61024 1/20 0.37

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
SCHEMBL24823221 0.90 PDPK1 (0.46) PDPK1HDAC6L3MBTL1GLSKDM4E
SCHEMBL2408680 0.86 HTT (0.41) HCAR2MEN1GAAKMT2AGFER
SCHEMBL29523641 0.85 PDPK1 (0.45) PDPK1HDAC6L3MBTL1GLSKDM4E
SCHEMBL29035194 0.84 PDPK1 (0.44) PDPK1HDAC6L3MBTL1GLSKDM4E
SCHEMBL7496742 0.84 CDC7 (0.45) PDPK1HDAC6L3MBTL1MEN1KMT2A
SCHEMBL7496435 0.83 PDPK1 (0.47) PDPK1HDAC6L3MBTL1MEN1GAA
SCHEMBL24645671 0.82 PDPK1 (0.46) PDPK1L3MBTL1GLSKDM4ELMNA
SCHEMBL3870395 0.82 FPR3 (0.48) PDPK1HDAC6L3MBTL1GLSKDM4E
SCHEMBL19274418 0.82 PDPK1 (0.47) PDPK1HDAC6L3MBTL1MEN1GAA
SCHEMBL29523400 0.81 PDPK1 (0.42) PDPK1HDAC6L3MBTL1GLSKDM4E

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-10344026-B2 Compositions and methods of targeting mutant K-ras NANTBIO, INC. (US) 2019-07-09 US disclosed
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-07-19 US disclosed
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS NANTBIO, INC. 2018-03-29 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 (3 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-10344026-B2 Compositions and methods of targeting mutant K-ras KRAS, NRAS, HRAS PDPK1 851/4885HCAR2 4303/4885HDAC6 2134/4885
US-20180086752-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS PDPK1 851/4885HCAR2 4303/4885HDAC6 2134/4885
US-20180201610-A1 COMPOSITIONS AND METHODS OF TARGETING MUTANT K-RAS KRAS, NRAS, HRAS PDPK1 851/4885HCAR2 4303/4885HDAC6 2134/4885

“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.