SCHEMBL1360049

SCHEMBL1360049

O=C(CO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.68
GSK3B P49841 2/20 0.68
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
MMP1 P03956 1/20 0.58
SRD5A2 P31213 2/20 0.53
HSD11B1 P28845 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
PDPK1 O15530 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL26135918 0.84 MMP1 (0.76) PTPN1GSK3BCES2CES1MMP1
SCHEMBL29987081 0.84 PTPN1 (0.75) PTPN1GSK3BCES2CES1MMP1
SCHEMBL2074662 0.83 PTPN1 (0.68) PTPN1GSK3BCES2CES1MMP1
SCHEMBL4660244 0.81 PTPN1 (0.66) PTPN1GSK3BCES2CES1MMP1
SCHEMBL203931 0.81 GSK3B (1.00) PTPN1GSK3BCES2CES1MMP1
SCHEMBL6630244 0.81 PTPN1 (0.66) PTPN1GSK3BCES2CES1MMP1
SCHEMBL7997819 0.81 PTPN1 (0.66) PTPN1GSK3BCES2CES1MMP1
SCHEMBL2095082 0.81 PTPN1 (0.66) PTPN1GSK3BCES2CES1MMP1
SCHEMBL478183 0.81 PTPN1 (0.66) PTPN1GSK3BCES2CES1MMP1
SCHEMBL3102483 0.81 GSK3B (0.66) PTPN1GSK3BCES2CES1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113135814-B Method for synthesizing chiral 1, 2-diol compound 温州大学 2022-08-02 CN disclosed
CN-113135814-A Method for synthesizing chiral 1, 2-diol compound 温州大学 2021-07-20 CN disclosed
US-9950999-B2 Non-ionic low diffusing photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-9950999-B2 Non-ionic low diffusing photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 US disclosed
US-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 US disclosed
EP-1908753-B1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARM CO LTD (JP) 2014-12-17 EP disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-8067453-B2 Oxazole compound to treat or prevent diabetic neuropathy; 4-(4-chlorophenyl)-5-(3-(2-methoxyphenoxy)propyl-2-methyl-1-imidazolyl)oxazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-29 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
CN-1384824-A Process for preparing oxazole derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-12-11 CN disclosed
CN-1372557-A Neurotrophin production/secretion promoting agent TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-02 CN disclosed
EP-1219610-A1 PROCESS FOR THE PREPARATION OF OXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
EP-1206472-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT Takeda Chemical Industries, Ltd. (JP) 2002-05-22 EP disclosed
WO-2001014372-A2 OXAZOLE AND THIAZOLE DERIVATIVES AS NEUROTROPHIN PRODUCTION/SECRETION PROMOTING AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-01 WO disclosed
US-4479007-A Chroman-4-ones and process for preparing same BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed
US-4415741-A REACTING O-HYDROXYACETOPHENONE AND CYCLOPENTANONE BAYER AKTIENGESELLSCHAFT (DE) 1983-11-15 US disclosed
US-4307020-A REACTING AN 0-HYDROXYACETOPHENONE WITH A GLYOXYLIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1981-12-22 US disclosed
US-4285965-A FUNGICIDES AND INSECTICIDES FOR PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-25 US disclosed
US-4189498-A FUNGICIDES, ARTHROPODICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-02-19 US 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-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS PLG, PPARG, PKLR PTPN1 2118/4885GSK3B 4065/4885CES2 2093/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 PTPN1 1945/4885GSK3B 2487/4885CES2 2728/4885

“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.