SCHEMBL4859648

SCHEMBL4859648

Oc1cnccc1Cc1ccc(C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
ESR2 Q92731 11/20 0.37
ESR1 P03372 6/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
MAPT P10636 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC5A1 P13866 2/20 0.36
SLC5A2 P31639 2/20 0.36
ROCK2 O75116 2/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL2581201 0.77 KEAP1 (0.61) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL4852032 0.77 RAB9A (0.40) CYP3A4KEAP1
SCHEMBL4849854 0.76 BCL2 (0.53) CYP3A4KEAP1
SCHEMBL4852017 0.76 RAB9A (0.39) CYP3A4KEAP1
SCHEMBL10034492 0.73 CYP11B1 (0.38) CYP3A4CYP2C9MAPTKEAP1
SCHEMBL2579031 0.71 KEAP1 (0.58) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL5373105 0.71 MAPT (0.50) MAPTSLC5A1SLC5A2
SCHEMBL2574075 0.71 KDM4C (0.47) KDM4CMAPT
SCHEMBL4859831 0.69 LOXL2 (0.47) CYP3A4CYP2C9MAPT
SCHEMBL29410681 0.66 RPS6KA3 (0.42)

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 3 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
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 KDM4C 4047/4885ESR2 2369/4885ESR1 4508/4885

“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.