SCHEMBL2933475

SCHEMBL2933475

CCCCCN(CCCCC)C(=O)c1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.60
PTPN1 P18031 1/20 0.59
PDE4B Q07343 2/20 0.58
GFER P55789 2/20 0.57
CASP6 P55212 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 1/20 0.56
CTNNB1 P35222 2/20 0.56
TCF4 P15884 1/20 0.56
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
KLKB1 P03952 1/20 0.53
ADAMTS5 Q9UNA0 1/20 0.53

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
SCHEMBL2925494 0.89 ADAMTS5 (0.69) AKR1B1PTPN1ADAMTS5
SCHEMBL2932935 0.89 PTPN22 (0.53) AKR1B1PTPN1KMT2A
SCHEMBL2928677 0.87 AKR1B1 (0.61) AKR1B1PTPN1ADAMTS5
SCHEMBL2931055 0.86 ADAMTS5 (0.70) AKR1B1PTPN1ADAMTS5
SCHEMBL2929627 0.85 MEN1 (0.51) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL2932473 0.82 ADAMTS5 (0.67) AKR1B1PTPN1ADAMTS5
SCHEMBL10492234 0.81 AKR1B1 (0.85) AKR1B1PTPN1PDE4BGFERCASP6
SCHEMBL10492241 0.81 AKR1B1 (0.85) AKR1B1PTPN1PDE4BGFERCASP6
SCHEMBL8712470 0.80 ADAMTS5 (0.71) AKR1B1PTPN1ADAMTS5
SCHEMBL6793003 0.78 PTPN12 (0.62) AKR1B1PTPN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313731-B1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT UCB SA (BE) 2010-09-29 EP claimed
US-6740670-B2 SUCH AS 5-(((3-(N-METHYL-N-PHENYLAMINO)CARBONYL-4-(PHENYL-METHOXY)) -PHENYL)METHYLENE)-4-OXO-2-THIOXO-3-THIAZOLIDINE-ACETIC ACID OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2004-05-25 US claimed
EP-1313731-A1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT Oxford GlycoSciences (UK) Limited (GB) 2003-05-28 EP claimed
WO-2002022612-A1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-21 WO claimed
EP-1313731-B1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT UCB SA (BE) 2010-09-29 EP disclosed
US-6740670-B2 SUCH AS 5-(((3-(N-METHYL-N-PHENYLAMINO)CARBONYL-4-(PHENYL-METHOXY)) -PHENYL)METHYLENE)-4-OXO-2-THIOXO-3-THIAZOLIDINE-ACETIC ACID OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2004-05-25 US disclosed
US-20030216453-A1 Thiazolidine derivatives and its use as antifungal agent OXFORD GLYCOSCIENCES (UK) LTD (GB) 2003-11-20 US disclosed
EP-1313731-A1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT Oxford GlycoSciences (UK) Limited (GB) 2003-05-28 EP disclosed
WO-2002022612-A1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT OXFORD GLYCOSCIENCES (UK) LIMITED (GB) 2002-03-21 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-20030216453-A1 Thiazolidine derivatives and its use as antifungal agent CYP3A7, TAS2R7, OXSR1 AKR1B1 489/4885PTPN1 654/4885PDE4B 3543/4885

“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.