SCHEMBL4947382

SCHEMBL4947382

CCOC(=O)C(=O)C1CSCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.34
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
GAA P10253 4/20 0.33
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP2D6 P10635 1/20 0.31
LMNA P02545 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
PARP1 P09874 1/20 0.30
TLR4 O00206 1/20 0.30

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
SCHEMBL8489133 0.84 ALDH1A1 (0.43) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4944675 0.84 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5109918 0.76 CYP2D6 (0.42) MAPTALDH1A1L3MBTL1KMT2AGAA
SCHEMBL181879 0.74 CYP2D6 (0.48) MAPTALDH1A1L3MBTL1KMT2AGAA
SCHEMBL10080626 0.73 CYP2D6 (0.47) MAPTALDH1A1L3MBTL1KMT2AGAA
SCHEMBL1846269 0.73 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL1149626 0.73 CYP2D6 (0.47) MAPTALDH1A1L3MBTL1KMT2AGAA
SCHEMBL8242838 0.72 MAPT (0.37) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2447326 0.72 ALDH1A1 (0.37) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2904103 0.71 KMT2A (0.36) MAPTALDH1A1KMT2AKDM4EHPGD

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 MAPT 2894/4885ALDH1A1 204/4885L3MBTL1 4080/4885

“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.