SCHEMBL18540548

SCHEMBL18540548

CC(=O)CSc1nnc(-c2cccc([S+](C)[O-])c2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 3/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MITF O75030 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL14907764 0.91 ALDH1A1 (0.42) GRK6KMT2AALDH1A1TDP1KDM4E
SCHEMBL16171163 0.82 GRK6 (0.48) GRK6MEN1KMT2APOLBSMN1; SMN2
SCHEMBL18540514 0.81 GRK6 (0.47) GRK6MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL18540519 0.81 GRK6 (0.51) GRK6MEN1KMT2APOLBSMN1; SMN2
SCHEMBL18540569 0.80 NPC1 (0.45) GRK6MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL18540504 0.79 GRK6 (0.51) GRK6MEN1KMT2ASMN1; SMN2HTT
SCHEMBL21763900 0.79 ALDH1A1 (0.40) GRK6MEN1KMT2ACYP1A2CYP3A4
SCHEMBL18540518 0.79 GRK6 (0.51) GRK6MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21763889 0.78 GRK6 (0.36) GRK6MEN1KMT2APOLBSMN1; SMN2
SCHEMBL18540507 0.78 GRK6 (0.50) GRK6MEN1KMT2ASMN1; SMN2ALDH1A1

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 1 patent. 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

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 1/4885MEN1 2245/4885KMT2A 2762/4885

“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.