SCHEMBL4813650

SCHEMBL4813650

CON(C)C(=O)c1ccc(Cc2ccccc2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
MLYCD O95822 1/20 0.43
HSPA5 P11021 1/20 0.42
TSHR P16473 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
SLC7A5 Q01650 1/20 0.38
AKR1B1 P15121 1/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL6246739 0.79 HSP90AA1 (0.56) KEAP1MLYCDMEN1KMT2ALMNA
SCHEMBL2579068 0.79 KEAP1 (0.56) KEAP1HSPA5TSHRLMNA
SCHEMBL4811057 0.77 LMNA (0.65) KEAP1HSPA5TSHRKMT2ALMNA
SCHEMBL8429380 0.75 MLYCD (0.53) MLYCDTSHRMEN1KMT2ATDP1
SCHEMBL12982112 0.75 MLYCD (0.53) MLYCDTSHRMEN1KMT2AHDAC1
SCHEMBL6248551 0.75 TSHR (0.69) KEAP1HSPA5TSHRLMNASLC7A5
SCHEMBL6489038 0.75 MAPT (0.51) TSHRMEN1KMT2ATDP1
SCHEMBL2651766 0.74 MLYCD (0.49) MLYCDTSHRKMT2ALMNAHDAC1
SCHEMBL28777 0.74 MLYCD (0.54) MLYCDTSHRTRPM8MEN1KMT2A
SCHEMBL9776607 0.74 KEAP1 (0.86) KEAP1HSPA5TSHRMEN1KMT2A

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
US-7414072-B2 Aryl 5-thio-β-d-glucopyranoside derivatives and therapeutic agents for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-08-19 US disclosed
US-7250522-B2 Method for selective preparation of aryl 5-thio-β-D-aldohexopyranosides TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-07-31 US disclosed
US-20050256317-A1 Process for selective production of aryl 5-thio-beta-d- aldohexopyranosides TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
US-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same TAISHO PHARMACEUTICAL CO., LTD. 2005-09-22 US disclosed
EP-1541578-A1 PROCESS FOR SELECTIVE PRODUCTION OF ARYL 5-THIO-BETA-D-ALDOHEXOPYRANOSIDES TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-06-15 EP disclosed
EP-1528066-A1 ARYL 5-THIO-D-GLUCOPYRANOSIDE DERIVATIVES AND REMEDIES FOR DIABETES CONTAINING THE SAME TAISHO PHARMACEUTICAL CO., LTD (JP) 2005-05-04 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 (2 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-20050256317-A1 Process for selective production of aryl 5-thio-beta-d- aldohexopyranosides ALDOA, DERA, AKR1D1 KEAP1 1983/4885MLYCD 2316/4885HSPA5 3012/4885
US-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same SLC5A2, SLC5A1, UGGT1 KEAP1 238/4885MLYCD 1984/4885HSPA5 770/4885

“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.