SCHEMBL2931028

SCHEMBL2931028

CCCCCN(CCCCC)C(=O)c1cc(C=O)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
AOX1 Q06278 1/20 0.46
TSHR P16473 1/20 0.45
PTGS2 P35354 3/20 0.44
APP P05067 2/20 0.44
CYP2C9 P11712 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FDPS P14324 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
TRIM24 O15164 1/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2929635 0.83 APP (0.44) ALDH1A1PTGS2APPRAB9AHPGD
SCHEMBL2934881 0.83 APP (0.48) ALDH1A1APPCYP2C9NPC1RAB9A
SCHEMBL2932518 0.81 CYP2C9 (0.47) ALDH1A1CYP2C9NPC1RAB9ANPSR1
SCHEMBL2932073 0.79 APP (0.49) ALDH1A1APPCYP2C9NPC1RAB9A
SCHEMBL2928085 0.79 PSEN1 (0.46) PPARG
SCHEMBL2928050 0.79 ALDH1A1 (0.49) ALDH1A1HPGDMAOBPOLB
SCHEMBL7193295 0.77 PDE10A (0.49) ALDH1A1APPHPGD
SCHEMBL6234420 0.75 ALDH1A1 (0.53) ALDH1A1AOX1TSHRAPPCYP2C9
SCHEMBL2928136 0.74 APP (0.47) ALDH1A1APPCYP2C9NPC1RAB9A
SCHEMBL13617659 0.74 CNR2 (0.53) ALDH1A1TSHRHPGD

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
EP-1313731-B1 THIAZOLIDINE DERIVATIVES AND ITS USE AS ANTIFUNGAL AGENT UCB SA (BE) 2010-09-29 EP disclosed
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 ALDH1A1 2527/4885AOX1 543/4885TSHR 220/4885

“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.