SCHEMBL3238355

SCHEMBL3238355

CCC(C)(C(NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
KLRK1 P26718 3/20 0.41
MICA Q29983 3/20 0.41
RAET1L Q5VY80 2/20 0.41
CES2 O00748 1/20 0.41
POLQ O75417 1/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNA5 P22460 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL3231177 0.88 KLRK1 (0.41) KLRK1MICARAET1LGPR139CYP1A2
SCHEMBL3914060 0.87 CES2 (0.45) SLC6A9AVPR2GPR27KLRK1MICA
SCHEMBL3237979 0.81 SLC6A9 (0.50) SLC6A9TACR1
SCHEMBL3244398 0.81 CTSS (0.55) SLC6A9
SCHEMBL3243610 0.79 SLC6A9 (0.48) SLC6A9AVPR2GPR27KLRK1MICA
SCHEMBL3244231 0.78 SLC6A9 (0.48) SLC6A9AVPR2GPR27KLRK1MICA
SCHEMBL3902026 0.78 CES2 (0.45) KLRK1MICARAET1LCES2POLQ
SCHEMBL13619226 0.77 TACR3 (0.53)
SCHEMBL3905217 0.76 GAA (0.41) ATML3MBTL1HSD17B2MEN1ALDH1A1
SCHEMBL3243967 0.76 KLRK1 (0.42) KLRK1MICARAET1LGPR139CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 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 (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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 SLC6A9 13/4885AVPR2 322/4885GPR27 549/4885

“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.