SCHEMBL17802157

SCHEMBL17802157

CCC(O)(CNC1CCC(NC(=O)O)CC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
METAP1 P53582 1/20 0.31
HPGDS O60760 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 2/20 0.31
RECQL P46063 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
SCHEMBL17802158 0.80 SMYD3 (0.33) SMYD3METAP1
SCHEMBL30687981 0.79 CD38 (0.39) PDK1PDK2PDK3PDK4PKM
SCHEMBL18988139 0.79 HPGDS (0.40) PDK1PDK2PDK3PDK4PKM
SCHEMBL20612894 0.78 EPHX2 (0.50) SMYD3EPHX2
SCHEMBL18987825 0.69 PKM (0.38) PKMHPGDS
SCHEMBL6658887 0.67 EPHX2 (0.50) PKMALDH1A1MAPTGAAEPHX2
SCHEMBL245467 0.67
SCHEMBL18987649 0.67 PDK1 (0.42) PDK1PDK2PDK3PDK4PKM
SCHEMBL18988657 0.67 PDK1 (0.42) PDK1PDK2PDK3PDK4PKM
SCHEMBL22191221 0.66 SMYD3 (0.36) PKMALDH1A1SMYD3EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227275-B1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-01-02 EP disclosed
US-9840496-B2 CD38 inhibitors and methods of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-12 US disclosed
EP-3227275-A1 CD38 INHIBITORS AND METHODS OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-10-11 EP disclosed
US-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-09-14 US disclosed
WO-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 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-20170260164-A1 CD38 INHIBITORS AND METHODS OF TREATMENT CD38, NQO1, NADK PDK1 45/4885PDK2 48/4885PDK3 121/4885

“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.