SCHEMBL14907758

SCHEMBL14907758

O=C(O)CSc1nnc(-c2ccc(O)c([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 10/20 0.64
TYMP P19971 1/20 0.41
APEX1 P27695 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR35 Q9HC97 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL18540594 0.90 GRK6 (0.52) GRK6ALDH1A1KDM4EMAPTAPOBEC3G
SCHEMBL14907940 0.87 GRK6 (0.65) GRK6TYMPAPEX1ALDH1A1MAPT
SCHEMBL14907891 0.84 GRK6 (0.67) GRK6ALDH1A1SMN1; SMN2
SCHEMBL14907852 0.84 GRK6 (0.59) GRK6ALDH1A1KDM4EMAPTMAPK1
SCHEMBL17212977 0.82 GRK6 (0.56) GRK6TYMPALOX15HSD17B10
SCHEMBL6405125 0.82 TYMP (0.60) GRK6TYMPALDH1A1MAPTTP53
SCHEMBL14907726 0.81 GRK6 (0.61) GRK6KDM4EHSD17B10
SCHEMBL18552362 0.81 GRK6 (0.46) GRK6TYMPALDH1A1KDM4EHPGD
SCHEMBL17213028 0.80 GRK6 (0.49) GRK6MAPT
SCHEMBL14907941 0.80 GRK6 (0.64) GRK6TYMPALDH1A1KDM4EMAPT

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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164415-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO disclosed
WO-2013063458-A2 INHIBITING G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-02 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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 GRK6 1/4885TYMP 3730/4885APEX1 3668/4885

“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.