SCHEMBL6448951

SCHEMBL6448951

COc1cc(NC(=O)c2ccc(C(=O)Nc3nnc(-c4cc(Cl)cc(Cl)c4O)s3)cc2)c(C(=O)O)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA7 P43166 1/20 0.48
PTGER3 P43115 1/20 0.47
KDM4E B2RXH2 6/20 0.45
MAPT P10636 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
RXFP1 Q9HBX9 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACLY P53396 1/20 0.44

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
SCHEMBL6445474 0.93 KDM4E (0.53) PTGER3KDM4EMAPTKMT2AMEN1
SCHEMBL6445774 0.84 PTGER3 (0.54) PTGER3KDM4EMAPTKMT2AMEN1
SCHEMBL6447207 0.84 WNT3A (0.46) PTGER3KDM4EMAPTKMT2AMEN1
SCHEMBL6451555 0.84 CSNK2A2 (0.55) PTGER3KDM4ECSNK2A2CSNK2A1KMT2A
SCHEMBL6448596 0.84 SMN1; SMN2 (0.52) PTGER3KDM4EMAPTKMT2AMEN1
SCHEMBL6448931 0.83 PTGER3 (0.46) PTGER3KDM4EMAPTCSNK2A2CSNK2A1
SCHEMBL6445732 0.82 TSHR (0.48) KDM4EMAPTKMT2AMEN1RXFP1
SCHEMBL6447124 0.82 PTGER3 (0.52) PTGER3KDM4EMAPTKMT2AMEN1
SCHEMBL6446020 0.82 KMT2A (0.48) PTGER3KDM4EMAPTCSNK2A2CSNK2A1
SCHEMBL6447209 0.81 MAPT (0.44) CA12CA1KDM4EMAPTCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 US claimed
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 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-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 AKR1C4 422/4885AKR1C3 302/4885AKR1C2 528/4885

“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.