SCHEMBL3936028

SCHEMBL3936028

CCOC(=O)c1ccc(C(=O)CCc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 2/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ESR1 P03372 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ESR2 Q92731 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NAMPT P43490 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
STS P08842 1/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL63779 0.85 KMT2A (0.64) KMT2AGAAHPGDRECQLCA12
SCHEMBL18016057 0.81 KMT2A (0.59) KMT2AGAAHPGDRECQLCA12
SCHEMBL28327299 0.80 CYP4F2 (0.66) KMT2AGAALMNA
SCHEMBL8746140 0.78 CA12 (0.59) KMT2AHPGDRECQLPOLBCA12
SCHEMBL5457569 0.77 HPGD (0.66) KMT2AGAAHPGDRECQLCA12
SCHEMBL12199135 0.77 CA1 (0.68) KMT2AHPGDRECQLCA12CA1
SCHEMBL7766764 0.76 CYP4F2 (0.70) GAAHPGDCA12CA1CA2
SCHEMBL7482018 0.76 CA12 (0.58) KMT2AHPGDRECQLCA12CA1
SCHEMBL7367543 0.76 HTT (0.64) KMT2AHPGDPOLBCA12CA1
SCHEMBL11045156 0.76 HPGD (0.59) KMT2AGAAHPGDRECQLCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA GSR 4849/4885KMT2A 4562/4885GAA 3605/4885

“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.