SCHEMBL5458996

SCHEMBL5458996

CC1CCC(NC(=O)Nc2sc3cc(O)ccc3c2C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 5/20 0.39
ESR1 P03372 4/20 0.37
EPHX1 P07099 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
TP53 P04637 1/20 0.36
ESR2 Q92731 2/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL5457824 0.94 RAB9A (0.43) RAB9AALDH1A1HPGDNPC1ESR1
SCHEMBL5447612 0.90 EPHX1 (0.47) RAB9AALDH1A1GAAHPGDGFER
SCHEMBL5450799 0.89 EPHX1 (0.49) RAB9AALDH1A1GAANPC1ESR1
SCHEMBL5451289 0.79 EPHX2 (0.44) RAB9AALDH1A1GAAHPGDKDM4E
SCHEMBL5450964 0.78 FLT3 (0.48) GFERESR1MAOB
SCHEMBL5447565 0.77 GRM1 (0.46) RAB9AHPGDNPC1ESR1
SCHEMBL5447596 0.75 GAA (0.48) RAB9AALDH1A1GAANPC1ESR1
SCHEMBL5460519 0.75 ESR1 (0.39) KDM4EESR1ESR2
SCHEMBL5451109 0.75 MEN1 (0.56) RAB9AALDH1A1GAAKDM4ENPC1
SCHEMBL5455873 0.74 ESR1 (0.40) ESR1ESR2

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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP claimed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO claimed
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 RAB9A 948/4885ALDH1A1 1153/4885GAA 540/4885

“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.