SCHEMBL900977

SCHEMBL900977

Cc1cccc(OC(F)(F)F)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.44
S1PR1 P21453 2/20 0.38
HSD11B1 P28845 1/20 0.37
SCN9A Q15858 2/20 0.36
C5AR1 P21730 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNK3 O14649 4/20 0.35
KCNK9 Q9NPC2 4/20 0.35
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
CACNG2 Q9Y698 1/20 0.35
ACHE P22303 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
KCNN4 O15554 1/20 0.33

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
SCHEMBL18308923 0.83 KCNH2 (0.38) MPLACHEHTR1ASLC6A2SLC6A4
SCHEMBL13160083 0.81 MAPT (0.46) S1PR1HSD11B1SCN9AKDM4EALDH1A1
SCHEMBL257293 0.80 HSD11B1 (0.44) S1PR1HSD11B1SCN9AKDM4EKCNK3
SCHEMBL17039548 0.79 KCNK3 (0.44) MPLSCN9AKDM4EKCNK3KCNK9
SCHEMBL16952357 0.79 S1PR1 (0.40) MPLS1PR1HSD11B1SCN9AKDM4E
SCHEMBL17036744 0.79 MPL (0.44) MPLHSD11B1SCN9AKDM4EKCNK3
Ammonia Solution, Strong SCHEMBL28719936 0.78 HSD11B1 (0.42) S1PR1HSD11B1SCN9AKDM4EKCNK3
SCHEMBL1401600 0.78 MPL (0.46) MPLSCN9AKDM4EGRIA1CACNG8
SCHEMBL16707610 0.78 HSD11B1 (0.41) MPLS1PR1HSD11B1SCN9AKDM4E
SCHEMBL30833846 0.78 TSHR (0.40) KDM4EACHEHTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
EP-4289839-A1 NOVEL AURORA KINASE INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-12-13 EP disclosed
WO-2023134598-A1 POLYMERISABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
EP-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20230136562-A1 SPIROUREA DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2023-05-04 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
EP-2612848-A1 CYCLIC AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-07-10 EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 WO disclosed
US-7169931-B2 Cell differentiation, cell proliferation SHIONOGI & CO., LTD. (JP) 2007-01-30 US disclosed
US-7169931-B2 Cell differentiation, cell proliferation SHIONOGI & CO., LTD. (JP) 2007-01-30 US disclosed
EP-0075146-B1 BENZYL ESTERS WITH FLUOROSUBSTITUTED ETHER GROUPS, PROCESS FOR THEIR PREPARATION AND THEIR UTILISATION AS INSECTICIDES BAYER AG (DE) 1985-10-23 EP disclosed
EP-0075146-A1 Benzyl esters with fluorosubstituted ether groups, process for their preparation and their utilisation as insecticides BAYER AG (DE) 1983-03-30 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 (4 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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 MPL 4060/4885S1PR1 2366/4885HSD11B1 747/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH MPL 403/4885S1PR1 2916/4885HSD11B1 2155/4885
US-20230136562-A1 SPIROUREA DERIVATIVES KCNA7, PKD2, KCNN3 MPL 3468/4885S1PR1 425/4885HSD11B1 849/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 MPL 4651/4885S1PR1 3534/4885HSD11B1 1255/4885

“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.