SCHEMBL5097237

SCHEMBL5097237

Cc1[c]ccc(OCC(O)CO)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 2/20 0.45
AR P10275 5/20 0.42
LMNA P02545 2/20 0.41
AGTR1 P30556 1/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
FGFR1 P11362 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
VDR P11473 5/20 0.37
HPGD P15428 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
SCHEMBL9934640 0.85 APP (0.40) TSHRMAPK1KMT2ASMN1; SMN2HIF1A
SCHEMBL11553173 0.81 ADRB2 (0.63) ADRB2ADRB1
SCHEMBL5106296 0.81 MAPK1 (0.50) TSHRMAPK1KDM4ECYP1A2AR
SCHEMBL9934322 0.81 TSHR (0.50) TSHRMAPK1KDM4ECYP1A2AR
SCHEMBL5458142 0.81 TSHR (0.50) TSHRMAPK1KDM4ECYP1A2AR
SCHEMBL12003896 0.80 TSHR (0.51) TSHRMAPK1KDM4ECYP1A2AR
SCHEMBL28008558 0.78 TSHR (0.48) TSHRMAPK1KDM4ECYP1A2AR
SCHEMBL28391611 0.78 MGLL (0.33) KMT2ASMN1; SMN2
SCHEMBL5459138 0.77 MAPK1 (0.47) TSHRMAPK1KDM4ECYP1A2AR
SCHEMBL5655717 0.75 TSHR (0.50) TSHRMAPK1KDM4ECYP1A2AR

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-10-23 US claimed
WO-2017180571-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO claimed
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US claimed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US claimed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US claimed
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-10-23 US disclosed
WO-2017180571-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
US-7452880-B2 Substituted pyrazolo [3,4-d] pyrimidines and methods of using the same F. HOFFMANN-LA ROCHE AG (CH) 2008-11-18 US disclosed
US-20070249620-A1 Urea Derivative SANKYO COMPANY, LIMITED (JP) 2007-10-25 US disclosed
EP-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP disclosed
CN-1934111-A Heteroaryl-fused pyrazolo derivatives ROCHE PALO ALTO LLC (CH) 2007-03-21 CN disclosed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO 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 (7 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 TSHR 394/4885MAPK1 654/4885KDM4E 2196/4885
US-20170291908-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 TSHR 239/4885MAPK1 1953/4885KDM4E 2539/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 TSHR 421/4885MAPK1 667/4885KDM4E 2989/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 TSHR 409/4885MAPK1 586/4885KDM4E 2641/4885
US-10106553-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR65, GPR52 TSHR 239/4885MAPK1 1953/4885KDM4E 2539/4885
US-20070249620-A1 Urea Derivative UGP2, SLC14A1, DGAT1 TSHR 1728/4885MAPK1 1466/4885KDM4E 2284/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 TSHR 1840/4885MAPK1 6/4885KDM4E 3589/4885

“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.