SCHEMBL13901784

SCHEMBL13901784

CC(C)(C)n1nc(C(=O)Nc2ccc(CN3CC(C(=O)O)C3)cc2)cc1-c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 12/20 0.50
S1PR1 P21453 12/20 0.50
S1PR4 O95977 5/20 0.46
MALT1 Q9UDY8 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR3 Q99500 3/20 0.43
MAPK9 P45984 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 1/20 0.41
LTK P29376 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41

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
SCHEMBL13901777 0.92 NPC1 (0.51) S1PR5S1PR1S1PR4NPC1RAB9A
SCHEMBL13901780 0.92 S1PR1 (0.47) S1PR5S1PR1S1PR4NPC1RAB9A
SCHEMBL13901795 0.91 NPC1 (0.44) S1PR5S1PR1S1PR4NPC1RAB9A
SCHEMBL13901966 0.86 NPC1 (0.47) S1PR5S1PR1S1PR4NPC1RAB9A
SCHEMBL13901783 0.86 S1PR5 (0.59) S1PR5S1PR1S1PR4NPC1RAB9A
SCHEMBL13901798 0.85 S1PR1 (0.49) S1PR5S1PR1S1PR4NPC1RAB9A
SCHEMBL13901945 0.85 ATM (0.48) S1PR5NPC1RAB9APDCD1CD274
SCHEMBL13901946 0.84 NPC1 (0.48) NPC1RAB9A
SCHEMBL4083132 0.84 S1PR5 (0.44) S1PR5S1PR1S1PR4NPC1RAB9A
SCHEMBL13901793 0.83 NPC1 (0.47) S1PR5S1PR1S1PR4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 S1PR5 2429/4885S1PR1 1120/4885S1PR4 2623/4885

“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.