SCHEMBL2587914

SCHEMBL2587914

O=C(O)NCc1cccc2c1C(S(=O)(=O)O)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPT P10636 1/20 0.34
FABP7 O15540 1/20 0.34
FABP3 P05413 1/20 0.34
FABP5 Q01469 1/20 0.34
KMT2A Q03164 2/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
HDAC3 O15379 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
SCHEMBL8697389 0.82 AKR1B1 (0.41) PPIACYP1A2CYP2C9TSHRCYP2C19
SCHEMBL5818114 0.79 CA1 (0.33) PPIACYP1A2HDAC3HDAC4HDAC7
SCHEMBL5917355 0.77 CA1 (0.32) PPIACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL114462 0.76 CA1 (0.35) PPIACYP1A2CYP2D6MAPTFABP7
SCHEMBL1934600 0.76 ALDH1A1 (0.40) PPIACYP1A2CYP2D6TSHRCYP2C19
SCHEMBL5488253 0.76 CA1 (0.37) PPIA
SCHEMBL45391 0.74 HTR7 (0.36) ALDH1A1KMT2A
SCHEMBL1456494 0.74 CA1 (0.33)
SCHEMBL2877604 0.72 PPIA (0.46) PPIACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3165966 0.71 TTR (0.35) PPIACYP1A2TSHRHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 EP disclosed
US-20220056021-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2022-02-24 US disclosed
EP-3898613-A1 ANTICANCER COMPOUNDS Pharma Mar S.A. (ES) 2021-10-27 EP disclosed
WO-2020127194-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2020-06-25 WO disclosed
EP-2940007-B1 TYROSINE DERIVATIVE AND MANUFACTURING METHOD FOR TYROSINE DERIVATIVE NARD INSTITUTE LTD (JP) 2017-12-20 EP disclosed
US-9533023-B2 EIF4E binding peptides AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-03 US disclosed
EP-2569327-B1 EIF4E BINDING PEPTIDES AGENCY SCIENCE TECH & RES (SG) 2016-05-25 EP disclosed
WO-2011136744-A1 EIF4E BINDING PEPTIDES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-11-03 WO disclosed
EP-2204383-A1 Processes for preparing eptifibatide and pertinent intermediate compounds Millennium Pharmaceuticals, Inc. (US) 2010-07-07 EP disclosed
US-20100105609-A1 Processes for Preparing Eptifibatide MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-29 US disclosed
US-7674768-B2 Processes for preparing eptifibatide MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-03-09 US disclosed
EP-1735345-B1 PROCESSES FOR PREPARING EPTIFIBATIDE AND PERTINENT INTERMEDIATE COMPOUNDS MILLENNIUM PHARM INC (US) 2009-06-17 EP disclosed
EP-1735345-A2 PROCESSES FOR PREPARING EPTIFIBATIDE AND PERTINENT INTERMEDIATE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20060036071-A1 Processes for preparing eptifibatide MILLENNIUM PHARMACEUTICALS, INC. 2006-02-16 US disclosed
WO-2005100381-A2 PROCESSES FOR PREPARING EPTIFIBATIDE AND PERTINENT INTERMEDIATE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 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 (3 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-20100105609-A1 Processes for Preparing Eptifibatide PTMS, VIP, ENPP2 PPIA 819/4885CYP1A2 4348/4885CYP2D6 2519/4885
US-20060036071-A1 Processes for preparing eptifibatide PTMS, VIP, ENPP2 PPIA 819/4885CYP1A2 4348/4885CYP2D6 2519/4885
US-20220056021-A1 ANTICANCER COMPOUNDS TP53, MCL1, MYC PPIA 1779/4885CYP1A2 1941/4885CYP2D6 1373/4885

“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.