SCHEMBL17018368

SCHEMBL17018368

CC(C)(C)OC(=O)NCCN(Cc1ccccc1B(O)O)Cc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.48
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NR1D1 P20393 1/20 0.43
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
DRD2 P14416 2/20 0.39
MTNR1A P48039 2/20 0.38
AKT1 P31749 1/20 0.38
ATM Q13315 1/20 0.37
KDM4A O75164 1/20 0.37
BCHE P06276 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
SCHEMBL15586613 0.89 NQO2 (0.44) NQO2CTSSCTSKCKS1BSKP1
SCHEMBL2119195 0.81 CKS1B (0.45) NQO2CKS1BSKP1SKP2DRD2
SCHEMBL17013849 0.78 CTSS (0.38) CTSSCTSK
SCHEMBL8536367 0.77 CTSS (0.45) NQO2CTSSCTSKNR1D1CKS1B
SCHEMBL2121412 0.77 APP (0.45) CKS1BSKP1SKP2DRD2
SCHEMBL1579453 0.77 NQO2 (0.75) NQO2CTSSCTSKMTNR1AKDM4A
SCHEMBL17013843 0.77 CYP2D6 (0.50) DRD2ATMBCHE
SCHEMBL12373442 0.76 CYP2D6 (0.56) DRD2ATM
SCHEMBL6033875 0.76 NQO2 (0.55) NQO2CTSKDRD2BCHE
SCHEMBL10243147 0.75 CDYL (0.49) MTNR1AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017525-B2 Multi-sensor array compound and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2018-07-10 US disclosed
US-20150232485-A1 MULTI-SENSOR ARRAY COMPOUND AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-08-20 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-10017525-B2 Multi-sensor array compound and methods of use thereof GPR119, CA12, INSR NQO2 2743/4885CTSS 2696/4885CTSK 2883/4885
US-20150232485-A1 MULTI-SENSOR ARRAY COMPOUND AND METHODS OF USE THEREOF GPR119, CA12, INSR NQO2 2743/4885CTSS 2696/4885CTSK 2883/4885

“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.