SCHEMBL2666852

SCHEMBL2666852

CN(CCOc1ccc2nc(N)sc2c1)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.53
TP53 P04637 3/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
KCNH2 Q12809 1/20 0.49
PDK2 Q15119 1/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.46
CYP2D6 P10635 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2666844 0.80 CYP3A4 (0.68) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL12618007 0.80 CACNA1H (0.46) ALDH1A1PDK2CYP1A2LMNACYP2D6
SCHEMBL973567 0.80 PDK2 (0.48) ALDH1A1PDK2CYP1A2LMNACYP2D6
SCHEMBL2666843 0.80 PDK2 (0.38) PDK2PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL991922 0.76 PDK2 (0.53) ALDH1A1TSHRPDK2CA2CA1
SCHEMBL7375044 0.76 PDK2 (0.53) ALDH1A1PDK2LMNANPC1RAB9A
SCHEMBL28849832 0.76 CA2 (0.70) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL11840767 0.76 LMNA (0.71) CYP3A4TP53HSD17B10ALDH1A1TSHR
SCHEMBL18291220 0.75 PDK2 (0.49) PDK2CA2CA1
SCHEMBL9072344 0.74 GBA1 (0.36) ALDH1A1PDK2LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119626-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-21 US disclosed
US-8119626-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-02-21 US disclosed
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF SUGAWARA KAZUTOSHI 2009-11-26 US disclosed
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF SUGAWARA KAZUTOSHI 2009-11-26 US disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-7514439-B2 Oxime derivative and preparations thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 US disclosed
US-20080132479-A1 Oxime Derivative and Preparations Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-05 US disclosed
WO-2007007886-A1 AN OXIME DERIVATIVE AND PREPARATIONS THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-18 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 (2 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-20080132479-A1 Oxime Derivative and Preparations Thereof GCK, KHK, GCKR CYP3A4 279/4885TP53 4391/4885HSD17B10 1208/4885
US-20090291936-A1 OXIME DERIVATIVE AND PREPARATIONS THEREOF GCK, KHK, GCKR CYP3A4 279/4885TP53 4391/4885HSD17B10 1208/4885

“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.