SCHEMBL4944675

SCHEMBL4944675

CCOC(=O)C(=O)C1CSCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 3/20 0.33
KDM4E B2RXH2 3/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
ELANE P08246 1/20 0.33
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
MAPK1 P28482 1/20 0.31
TLR4 O00206 1/20 0.31
PIN1 Q13526 1/20 0.31

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
SCHEMBL4947382 0.84 MAPT (0.34) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL172419 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL5109918 0.71 CYP2D6 (0.42) ALDH1A1KMT2AMAPTL3MBTL1GAA
SCHEMBL11198763 0.70 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL1149494 0.70 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL181879 0.70 CYP2D6 (0.48) ALDH1A1KMT2AHSD17B10MAPTL3MBTL1
SCHEMBL16517229 0.70 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL9793537 0.70 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL10080626 0.69 CYP2D6 (0.47) ALDH1A1KMT2AHPGDHSD17B10MAPT
SCHEMBL1149626 0.69 CYP2D6 (0.47) ALDH1A1KMT2AHPGDHSD17B10MAPT

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-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 ALDH1A1 204/4885MEN1 516/4885KMT2A 2810/4885

“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.