SCHEMBL3042940

SCHEMBL3042940

Cc1cccc(C(NC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C2(N(C)C)CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 7/20 0.47
HSD17B2 P37059 1/20 0.40
KLRK1 P26718 7/20 0.39
MICA Q29983 7/20 0.39
RAET1L Q5VY80 7/20 0.39
CES2 O00748 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37
PSMB1 P20618 1/20 0.37
PSMA1 P25786 1/20 0.37
PSMA2 P25787 1/20 0.37
PSMA3 P25788 1/20 0.37
PSMA4 P25789 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMA5 P28066 1/20 0.37
PSMB4 P28070 1/20 0.37
PSMB6 P28072 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
SCHEMBL3237631 0.90 SLC6A9 (0.48) SLC6A9HSD17B2KLRK1MICARAET1L
SCHEMBL3041062 0.90 FLT1 (0.41) SLC6A9KLRK1MICARAET1LCES2
SCHEMBL3262723 0.80 SLC6A9 (0.42) SLC6A9KMT2A
SCHEMBL3239348 0.80 KLRK1 (0.41) SLC6A9KLRK1MICARAET1LSLC6A2
SCHEMBL3030679 0.79 SLC6A2 (0.45) SLC6A9KLRK1MICARAET1LSLC6A2
SCHEMBL3240099 0.77 CRHR1 (0.46) SLC6A9KLRK1MICARAET1LMEN1
SCHEMBL3237991 0.77 SLC6A9 (0.40) SLC6A9
SCHEMBL3037837 0.77 SLC6A9 (0.47) SLC6A9
SCHEMBL3239594 0.76 KCNQ3 (0.44) SLC6A9KLRK1MICARAET1L
SCHEMBL1348675 0.76 SLC6A9 (0.51) SLC6A9HSD17B2KLRK1MICARAET1L

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-20100216837-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216837-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
US-20100216837-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2010-08-26 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-20100216837-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885HSD17B2 1053/4885KLRK1 1863/4885

“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.