SCHEMBL966087

SCHEMBL966087

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1C=C(C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 1/20 0.36
MAPK8 P45983 3/20 0.35
MAPK9 P45984 3/20 0.35
PHGDH O43175 8/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK10 P53779 2/20 0.33
JAK2 O60674 1/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
OXER1 Q8TDS5 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KMO O15229 1/20 0.32
ROCK2 O75116 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32

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
SCHEMBL966086 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL966083 0.84 MAPT (0.36) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL966082 0.84 MAPT (0.36) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL963534 0.82 MAPT (0.35) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL962582 0.82 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL962581 0.82 SMN1; SMN2 (0.44) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL962500 0.81 L3MBTL1 (0.50) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL962501 0.81 L3MBTL1 (0.50) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL963702 0.81 SMN1; SMN2 (0.45) SMN1; SMN2MAPTNR2F2HTTMAPK8
SCHEMBL966085 0.78 SMN1; SMN2 (0.41) SMN1; SMN2MAPTNR2F2HTTMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG SMN1; SMN2 4710/4885MAPT 4720/4885NR2F2 201/4885

“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.