SCHEMBL4810030

SCHEMBL4810030

CCc1ccc(C(O)c2cccc(C(=O)OC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
SLC7A5 Q01650 1/20 0.47
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
CASR P41180 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PARP1 P09874 1/20 0.42
TSHR P16473 1/20 0.42
FOLH1 Q04609 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL3340488 0.86 TSHR (0.58) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL3636710 0.85 TDP1 (0.51) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL2458334 0.84 KMT2A (0.46) LOXL2CYP4F2CYP4A11CA12CA1
SCHEMBL14108185 0.83 OPRD1 (0.48) TSHR
SCHEMBL3340741 0.81 GPR17 (0.50) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL1568650 0.79 ADRB2 (0.54) LOXL2CYP4F2CYP4A11TSHRPOLB
SCHEMBL5662355 0.79 LOXL2 (0.51) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL4407209 0.78 TSHR (0.53) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL2650423 0.78 TSHR (0.53) LOXL2CYP4F2CYP4A11SLC7A5CASR
SCHEMBL4407205 0.78 TSHR (0.53) LOXL2CYP4F2CYP4A11SLC7A5CASR

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 10 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
CN-100341885-C Process for selective production of aryl 5-thio-beta-d-aldohexopyranosides TAISHO PHARMACEUTICAL CO LTD (JP) 2007-10-10 CN 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
CN-1312165-C Aryl 5-thio-beta-D-glucopyranoside derivative and therapeutic agent for diabetes containing the same TAISHO PHARMACEUTICAL CO LTD (JP) 2007-04-25 CN 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
CN-1675233-A Process for selective production of aryl 5-thio-beta-d-aldohexopyranosides TAISHO PHARMACEUTICAL CO LTD (JP) 2005-09-28 CN 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
CN-1639180-A Aryl 5-thio-beta-D-glucopyranoside derivatives and remedies for diabetes containing the same TAISHO PHARMACEUTICAL CO LTD (JP) 2005-07-13 CN 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 LOXL2 4042/4885CYP4F2 238/4885CYP4A11 22/4885
US-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same SLC5A2, SLC5A1, UGGT1 LOXL2 2881/4885CYP4F2 568/4885CYP4A11 409/4885

“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.