SCHEMBL3243967

SCHEMBL3243967

CCC(CC)(C(NC(=O)c1cc(C(F)(F)F)ccc1C)c1ccccc1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLRK1 P26718 4/20 0.42
MICA Q29983 4/20 0.42
RAET1L Q5VY80 4/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
KCNQ3 O43525 2/20 0.40
KCNQ2 O43526 2/20 0.40
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 2/20 0.40
KCNA5 P22460 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
TACR1 P25103 5/20 0.38
CTSD P07339 1/20 0.38

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) KLRK1MICARAET1LTAS2R14KCNQ3
SCHEMBL3905828 0.86 KLRK1 (0.44) KLRK1MICARAET1LTAS2R14KCNQ3
SCHEMBL3261339 0.80 KLRK1 (0.42) KLRK1MICARAET1LTAS2R14KCNQ3
SCHEMBL3245099 0.78 SMN1; SMN2 (0.46) CYP2C9SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL3238502 0.77 L3MBTL1 (0.47) SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL3238355 0.76 SLC6A9 (0.42) KLRK1MICARAET1LKCNQ3KCNQ2
SCHEMBL3230747 0.76 KLRK1 (0.44) KLRK1MICARAET1LTAS2R14KCNQ3
SCHEMBL3241869 0.75 SLC6A9 (0.49) TACR1
SCHEMBL3238144 0.75 UTS2R (0.50) CYP1A2CYP3A4CYP2C9SMN1; SMN2TSHR
SCHEMBL3902026 0.75 CES2 (0.45) KLRK1MICARAET1LKCNQ3KCNQ2

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 KLRK1 1993/4885MICA 3076/4885RAET1L 4434/4885

“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.