SCHEMBL1047423

SCHEMBL1047423

C[CH]c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.41
PDE2A O00408 1/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2095894 0.94 PIM1 (0.42) PIM1PIM2KDM4EMAPTEPHX2
SCHEMBL2092413 0.94 KIF11 (0.49) PIM1PIM2KDM4EMAPTEPHX2
SCHEMBL3844916 0.83 KDM4E (0.57) PIM1PIM2KDM4EMAPTEPHX2
SCHEMBL13790221 0.81 CYP2D6 (0.50) PIM1PIM2KDM4EMAPTEPHX2
SCHEMBL2092050 0.81 PIM1 (0.49) PIM1PIM2KDM4EMAPTEPHX2
SCHEMBL254957 0.80 MAPT (0.56) PIM1PIM2KDM4EMAPTEPHX2
SCHEMBL15117409 0.79 PIM1 (0.47) PIM1PIM2KDM4EMAPTEPHX2
SCHEMBL6414094 0.79 ALDH1A1 (0.37) KDM4EMAPTKIF11CYP2D6ALDH1A1
SCHEMBL3396974 0.77 PIM1 (0.46) PIM1PIM2KDM4EMAPTEPHX2
SCHEMBL535404 0.77 MAPT (0.42) PIM1PIM2KDM4EMAPTEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-02-09 US claimed
US-20180258095-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2018-09-13 US claimed
US-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-09-04 US claimed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP claimed
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 US claimed
EP-2970256-A1 NEW OCTAHYDRO-PYRROLO[3,4-C]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS F. Hoffmann-La Roche AG (CH) 2016-01-20 EP claimed
US-20150376194-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2015-12-31 US claimed
WO-2014139978-A1 NEW OCTAHYDRO-PYRROLO[3,4-C]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-09-18 WO claimed
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 EP claimed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO claimed
CN-113874353-B Microbiocidal derivatives 先正达农作物保护股份公司 2024-06-14 CN disclosed
US-20230192628-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-06-22 US disclosed
US-20220272976-A1 MICROBIOCIDAL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-09-01 US disclosed
CN-113924294-A Microbicidal derivatives 先正达农作物保护股份公司 2022-01-11 CN disclosed
CN-113874353-A Microbicidal derivatives 先正达农作物保护股份公司 2021-12-31 CN disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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 (8 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-10065926-B2 Use of substituted dihydrooxindolylsulfonamides, or the salts thereof, for increasing the stress tolerance of plants SQOR, DHPS, QDPR PIM1 1907/4885PIM2 1932/4885KDM4E 3040/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD PIM1 1500/4885PIM2 1387/4885KDM4E 1535/4885
US-20220272976-A1 MICROBIOCIDAL DERIVATIVES MPO, MSR1, PRF1 PIM1 2194/4885PIM2 2698/4885KDM4E 2527/4885
US-10913745-B2 Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors ENPP2, TPX2, PRAP1 PIM1 3587/4885PIM2 4140/4885KDM4E 1222/4885
US-20180258095-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS ENPP2, TPX2, UACA PIM1 3858/4885PIM2 4316/4885KDM4E 1095/4885
US-20230192628-A1 MICROBIOCIDAL DERIVATIVES MPO, PRF1, MSR1 PIM1 1793/4885PIM2 2382/4885KDM4E 2058/4885
US-20160237035-A1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES, OR THE SALTS THEREOF, FOR INCREASING THE STRESS TOLERANCE OF PLANTS SQOR, DHPS, QDPR PIM1 1907/4885PIM2 1932/4885KDM4E 3040/4885
US-20150376194-A1 NEW OCTAHYDRO-PYRROLO[3,4-c]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS ENPP2, TPX2, UACA PIM1 3858/4885PIM2 4316/4885KDM4E 1095/4885

“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.