SCHEMBL16632657

SCHEMBL16632657

Cc1cc(NCC(=O)OC(C)(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
PARP1 P09874 1/20 0.47
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
LMNA P02545 3/20 0.45
STAT3 P40763 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 4/20 0.44
THRB P10828 1/20 0.44
MPL P40238 3/20 0.43
ADORA3 P0DMS8 3/20 0.42
KDM4E B2RXH2 4/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
KDM4A O75164 2/20 0.41
KDM4B O94953 2/20 0.41

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
SCHEMBL16640659 0.87 MAPT (0.52) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL16633068 0.86 PARP1 (0.56) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL16633138 0.81 PARP1 (0.61) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL12301000 0.80 MAPT (0.58) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL12248431 0.80 MAPT (0.64) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL16632799 0.79 MAPT (0.66) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL14992339 0.79 MAPT (0.62) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL12249029 0.79 LMNA (0.63) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL12300934 0.78 MAPT (0.63) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2
SCHEMBL12249170 0.78 MAPT (0.58) MAPTSMN1; SMN2TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670197-B2 Small molecule modifiers of the Hec1-Nek2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-06 US disclosed
US-20160318918-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-03 US disclosed
US-9422275-B2 Small molecule modifiers of the HEC1-NEK2 interaction in G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-08-23 US disclosed
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-04-16 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 (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-20160318918-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 MAPT 4133/4885SMN1; SMN2 3187/4885TAS1R3 4433/4885
US-20150105391-A1 SMALL MOLECULE MODIFIERS OF THE HEC1-NEK2 INTERACTION IN G2/M NR2E1, NEK4, NCOR2 MAPT 4133/4885SMN1; SMN2 3187/4885TAS1R3 4433/4885

“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.