SCHEMBL121673

SCHEMBL121673

O=C(O)c1cccc(-c2ccccc2C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.61
AKR1C2 P52895 3/20 0.61
KMO O15229 2/20 0.56
EPHX2 P34913 1/20 0.54
PDK2 Q15119 1/20 0.53
SCN9A Q15858 4/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
PTGER1 P34995 1/20 0.48

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
SCHEMBL2528069 0.88 AKR1C3 (0.55) AKR1C3AKR1C2KMOEPHX2PDK2
SCHEMBL29630556 0.87 ALDH1A1 (0.51) AKR1C3AKR1C2KMOEPHX2SCN9A
SCHEMBL2832477 0.86 SCN9A (0.58) AKR1C3AKR1C2PDK2SCN9A
SCHEMBL7067814 0.86 SCN9A (0.50) AKR1C3AKR1C2EPHX2SCN9A
SCHEMBL423796 0.86 AKR1C3 (0.62) AKR1C3AKR1C2PDK2SCN9A
SCHEMBL28498920 0.85 AKR1C3 (0.47) AKR1C3AKR1C2EPHX2SCN9AALDH1A1
Hydrochloric Acid SCHEMBL29833674 0.84 SCN9A (0.57) AKR1C3AKR1C2PDK2SCN9A
SCHEMBL28371576 0.84 RXRA (0.58) AKR1C3AKR1C2KMOPDK2PTGER1
SCHEMBL4789279 0.83 AKR1C3 (0.48) AKR1C3AKR1C2EPHX2SCN9A
SCHEMBL14038653 0.83 SCN9A (0.48) AKR1C3AKR1C2SCN9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101820950-A Biphenylcarboxamide derivatives as hedgehog pathway modulators IRM LLC 2010-09-01 CN claimed
CN-101218201-A Benzoic acid derivatives as GlyR modulators or agonists ASTRAZENECA AB (SE) 2008-07-09 CN claimed
JP-2007519744-A 2007-07-19 JP claimed
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2007-04-19 US claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 EP disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
US-8962607-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-02-24 US disclosed
CN-101820950-B Biphenylcarboxamide derivatives as hedgehog pathway modulators IRM LLC 2015-01-21 CN disclosed
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
CN-102170873-B Smoothied antagonism for treating disorders associated with HEDGEHOG pathways NOVARTIS AG 2014-07-30 CN disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
US-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia WYETH 2004-10-28 US disclosed
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 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 (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-20040214869-A1 2,3,5-substituted biphenyls useful in the treatment of insulin resistance and hyperglycemia INSR, GPR119, IRS1 AKR1C3 386/4885AKR1C2 508/4885KMO 1043/4885
US-20070088001-A1 Silinane compounds as cysteine protease inhibitors CTSV, CTSB, CTSS AKR1C3 1571/4885AKR1C2 2025/4885KMO 1212/4885

“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.