SCHEMBL2930304

SCHEMBL2930304

O=Cc1ccc(OCc2ccc(F)cc2F)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
GSK3B P49841 2/20 0.50
BACE1 P56817 2/20 0.50
PTGER1 P34995 10/20 0.47
NPC1 O15118 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 1/20 0.45
CCR5 P51681 1/20 0.44
PPARA Q07869 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
SCHEMBL2927947 0.89 ALDH1A1 (0.56) ALDH1A1POLBMEN1HPGDKMT2A
SCHEMBL5215416 0.84 ALDH1A1 (0.65) ALDH1A1POLBMEN1HPGDKMT2A
SCHEMBL1647415 0.83 PTGER1 (0.59) PTGER1CCR5
SCHEMBL1647507 0.83 L3MBTL1 (0.57) ALDH1A1POLBMEN1HPGDKMT2A
SCHEMBL2453108 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AGSK3BBACE1PTGER1
SCHEMBL2928050 0.80 ALDH1A1 (0.49) ALDH1A1POLBMEN1HPGDKMT2A
SCHEMBL14078205 0.80 ALDH1A1 (0.74) ALDH1A1POLBMEN1HPGDKMT2A
SCHEMBL5217217 0.79 ALDH1A1 (0.56) ALDH1A1POLBMEN1HPGDKMT2A
SCHEMBL1647752 0.79 MRGPRX4 (0.52) ALDH1A1POLBNPC1CYP2C9RAB9A
SCHEMBL8847023 0.78 ALDH1A1 (0.64) ALDH1A1POLBMEN1KMT2ANPC1

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 2527/4885POLB 4579/4885MEN1 1832/4885

“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.