SCHEMBL5455862

SCHEMBL5455862

NC(=O)c1c(NC(=O)Nc2ccc(C(F)(F)F)cc2)sc2cc(O)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.51
ESR1 P03372 3/20 0.49
TRPV1 Q8NER1 1/20 0.49
EPHX2 P34913 2/20 0.49
MTOR P42345 3/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
MAPT P10636 2/20 0.43
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
KIF11 P52732 1/20 0.41
GRIK1 P39086 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5467855 0.90 BAZ1A (0.52) BAZ1AESR1TRPV1EPHX2MTOR
SCHEMBL5467416 0.88 TRPV1 (0.53) BAZ1ATRPV1CA12CA1CA2
SCHEMBL5452028 0.86 KIF11 (0.44) BAZ1AESR1TRPV1MAPTKIF11
SCHEMBL5460123 0.86 EPHX2 (0.52) ESR1EPHX2MAPTMEN1NPC1
SCHEMBL5458283 0.85 MEN1 (0.43) TRPV1CA12CA1CA2CA9
SCHEMBL5447596 0.85 GAA (0.48) ESR1MAPTKDRPDGFRBMEN1
SCHEMBL5459965 0.85 MDM2 (0.45) MAPTGRIK1MEN1NPC1ALDH1A1
SCHEMBL5456326 0.85 MEN1 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL5451109 0.85 MEN1 (0.56) TRPV1EPHX2MAPTMEN1NPC1
SCHEMBL5455953 0.83 MEN1 (0.47) EPHX2MAPTKDRMEN1NPC1

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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 BAZ1A 3559/4885ESR1 3803/4885TRPV1 1381/4885

“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.