SCHEMBL2576294

SCHEMBL2576294

Oc1ccccc1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.63
HSPA5 P11021 1/20 0.54
VKORC1 Q9BQB6 1/20 0.44
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
SRD5A2 P31213 1/20 0.44
BCL2 P10415 1/20 0.42
BCL2L1 Q07817 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ALOX5 P09917 1/20 0.42
NPC1 O15118 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL30616875 0.84 KEAP1 (0.86) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL9776607 0.84 KEAP1 (0.86) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL2574068 0.81 KEAP1 (0.63) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL2577342 0.81 ACP3 (0.49) KEAP1HSPA5MAPTTAAR1
SCHEMBL9751987 0.80 HSPA5 (0.57) KEAP1HSPA5ALOX5NPC1CRHBP
SCHEMBL9861515 0.79 MEN1 (0.57) KEAP1BCL2BCL2L1THRATHRB
SCHEMBL2577181 0.79 KEAP1 (0.70) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL68653 0.78 KEAP1 (1.00) KEAP1HSPA5BCL2BCL2L1THRB
SCHEMBL8925742 0.78 KEAP1 (0.76) KEAP1HSPA5BCL2BCL2L1ALOX5
SCHEMBL29506902 0.78 KEAP1 (1.00) KEAP1HSPA5BCL2BCL2L1THRB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048897-B2 Cyclohexane derivative, prodrug thereof and salt thereof, and therapeutic agent containing the same for diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-11-01 US disclosed
CN-101010276-B Cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing same CHUGAI PHARMACEUTICAL CO LTD 2011-01-12 CN disclosed
US-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-12-25 US disclosed
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
CN-101010276-A Novel cyclohexane derivative, prodrug thereof, salt thereof, and therapeutic agent for diabetes containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-08-01 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
EP-1783110-A1 NOVEL CYCLOHEXANE DERIVATIVE, PRODRUG THEREOF AND SALT THEREOF, AND THERAPEUTIC AGENT CONTAINING THE SAME FOR DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-09 EP 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 (3 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-20080318874-A1 Novel Cyclohexane Derivative, Prodrug Thereof and Salt Thereof, and Therapeutic Agent Containing the Same for Diabetes SLC5A1, GPR119, SLC5A2 KEAP1 901/4885HSPA5 2445/4885VKORC1 695/4885
US-20050256317-A1 Process for selective production of aryl 5-thio-beta-d- aldohexopyranosides ALDOA, DERA, AKR1D1 KEAP1 1983/4885HSPA5 3012/4885VKORC1 1834/4885
US-20050209309-A1 Aryl 5-thio-beta-d-glucopyranoside derivatives and remedies for diabetes containing the same SLC5A2, SLC5A1, UGGT1 KEAP1 238/4885HSPA5 770/4885VKORC1 3492/4885

“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.