SCHEMBL4854533

SCHEMBL4854533

CCc1ccc(Cc2nccnc2OCc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
F2 P00734 1/20 0.38
LTA4H P09960 2/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1571379 0.77 LTA4H (0.46) MAPK1ALDH1A1LMNAHTTHTR2C
SCHEMBL24215198 0.76 L3MBTL1 (0.53) L3MBTL1TSHRMAPK1ALDH1A1LMNA
SCHEMBL12843879 0.75 TP53 (0.46) TP53LMNA
SCHEMBL11844142 0.74 RXRA (0.60) TP53L3MBTL1ALDH1A1LMNAHTT
SCHEMBL154300 0.72 L3MBTL1 (0.60) L3MBTL1TSHRMAPK1ALDH1A1HTT
SCHEMBL8781507 0.72 CALM1 (0.55) TSHRALDH1A1LMNAHPGDKMT2A
SCHEMBL8162089 0.72 L3MBTL1 (0.59) L3MBTL1TSHRMAPK1ALDH1A1LMNA
SCHEMBL1970895 0.72 POLB (0.47) L3MBTL1TSHRMAPK1ALDH1A1LMNA
SCHEMBL4860259 0.71 SLC5A1 (0.47) L3MBTL1LMNAHTR2CKMT2AMAPT
SCHEMBL464352 0.71 RXRA (0.66) TP53L3MBTL1ALDH1A1LMNARXRA

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
US-7439232-B2 Heteroaryl 5-thio-β-D-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-10-21 US disclosed
US-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
CN-1761676-A Heteroaryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same TAISHO PHARMACEUTICAL CO LTD (JP) 2006-04-19 CN disclosed
EP-1609799-A1 HETEROARYL 5-THIO-BETA-D-GLUCOPYRANOSIDE DERIVATIVES AND REMEDIES FOR DIABETES CONTAINING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-12-28 EP 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-20060194809-A1 Heteroaryl 5-thio-beta-d-gucopyranoside derivatives and therapeutic agents for diabetes containing the same SLC5A2, SLC5A1, UGGT1 TP53 4420/4885L3MBTL1 3504/4885TSHR 3150/4885

“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.