SCHEMBL2170834

SCHEMBL2170834

CC(C)C(O)C(CCCCOc1cccc(F)c1F)n1nc[nH]c1=S

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
CXCR2 P25025 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2172805 0.86 TTR (0.31)
SCHEMBL12336849 0.81 L3MBTL1 (0.38) GRM2L3MBTL1TDP1MAPK1
SCHEMBL2171989 0.78 GAA (0.44) MAPK1
SCHEMBL2170715 0.78 MAPK1 (0.44) GRM2L3MBTL1TDP1CXCR2MAPK1
SCHEMBL12336850 0.76 HSP90AB1 (0.34) GRM2
SCHEMBL3266419 0.64 MAPK1 (0.40) GRM2L3MBTL1TDP1MAPK1
SCHEMBL2315369 0.63 MAPK1 (0.41) TDP1MAPK1
SCHEMBL3238214 0.62 MAPK1 (0.39) GRM2MAPK1
SCHEMBL3237661 0.62 MAPK1 (0.40) GRM2MAPK1
SCHEMBL28020713 0.62 GRM2 (0.52) GRM2L3MBTL1TDP1MAPK1

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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-08-04 US disclosed
EP-2346839-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040717-A1 TRIAZOLE AND IMIDAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING THEM BASF SE (DE) 2010-04-15 WO 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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them ABAT, OAT, TYR GRM2 4587/4885L3MBTL1 3164/4885TDP1 1292/4885

“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.