SCHEMBL5453359

SCHEMBL5453359

CC(C)NC(=O)Nc1sc2c(c1C(N)=O)CCOC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.64
PTPRC P08575 1/20 0.52
PTPN2 P17706 1/20 0.52
PTPN1 P18031 1/20 0.52
PTPRB P23467 1/20 0.52
PTPRE P23469 1/20 0.52
KDM4E B2RXH2 4/20 0.49
FLT3 P36888 3/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
TSHR P16473 2/20 0.47
MAPK10 P53779 1/20 0.47
MDM2 Q00987 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL5465787 0.91 CFTR (0.61) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5456256 0.88 CFTR (0.61) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5454137 0.87 CFTR (0.55) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5453234 0.86 CFTR (0.58) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5446300 0.86 CFTR (0.56) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5453381 0.85 CFTR (0.66) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5460329 0.85 CFTR (0.62) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL8289710 0.83 KDM4E (0.70) KDM4EFLT3MEN1CYP1A2CYP2C19
SCHEMBL8290653 0.83 CFTR (0.67) CFTRPTPRCPTPN2PTPN1PTPRB
SCHEMBL5459748 0.83 FLT3 (0.70) CFTRKDM4EFLT3MEN1CYP1A2

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 claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 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 CFTR 2030/4885PTPRC 1457/4885PTPN2 2364/4885

“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.