SCHEMBL5451474

SCHEMBL5451474

CC1(C)Cc2c(sc(N)c2C(N)=O)CO1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.72
GAA P10253 1/20 0.72
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
UBE2N P61088 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
EPHB4 P54760 1/20 0.55
CFTR P13569 1/20 0.53
MAPT P10636 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
USP2 O75604 1/20 0.47
RECQL P46063 1/20 0.47
ALOX15 P16050 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NOD1 Q9Y239 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL15832916 0.88 ALDH1A1 (0.72) ALDH1A1GAAKMT2AMEN1UBE2N
SCHEMBL15832885 0.84 ALDH1A1 (1.00) ALDH1A1GAAKMT2AMEN1UBE2N
SCHEMBL15832848 0.81 ALDH1A1 (0.74) ALDH1A1GAAKMT2AMEN1UBE2N
SCHEMBL13438087 0.81 ALDH1A1 (0.74) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL5448384 0.75 KMT2A (0.71) ALDH1A1GAAKMT2AMEN1UBE2N
SCHEMBL16445422 0.73 CFTR (0.60) CFTR
SCHEMBL5447685 0.72 MEN1 (1.00) ALDH1A1GAAKMT2AMEN1UBE2N
SCHEMBL21260779 0.71 ALDH1A1 (0.66) ALDH1A1GAAKMT2AMEN1NPC1
SCHEMBL3452996 0.70 ALDH1A1 (0.60) ALDH1A1GAAKMT2AMEN1CFTR
SCHEMBL5453458 0.70 ALDH1A1 (0.55) ALDH1A1GAAKMT2AMEN1MAPT

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 ALDH1A1 1153/4885GAA 540/4885KMT2A 4785/4885

“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.