SCHEMBL13010899

SCHEMBL13010899

CC(=O)CN(CCN(CC(C)=O)CC(=O)O)CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.74
EYA2 O00167 1/20 0.74
APP P05067 1/20 0.74
ACE P12821 1/20 0.74
BLM P54132 2/20 0.70
PMP22 Q01453 2/20 0.70
LMNA P02545 2/20 0.70
KDM4E B2RXH2 2/20 0.70
ALOX15 P16050 2/20 0.70
CHRM2 P08172 1/20 0.70
ADRA2A P08913 1/20 0.70
TSHR P16473 1/20 0.70
DRD1 P21728 1/20 0.70
SLC6A2 P23975 1/20 0.70
SLC6A4 P31645 1/20 0.70
CYP2C19 P33261 1/20 0.70
ADRA1A P35348 1/20 0.70
DRD3 P35462 1/20 0.70
SLC6A3 Q01959 1/20 0.70
HRH3 Q9Y5N1 1/20 0.70

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
SCHEMBL13322095 1.00 TDP1 (0.74) TDP1EYA2APPACEBLM
SCHEMBL16406527 0.97 TDP1 (0.75) TDP1EYA2APPACEBLM
SCHEMBL13201916 0.97 TDP1 (0.75) TDP1EYA2APPACEBLM
SCHEMBL13398968 0.97 TDP1 (0.75) TDP1EYA2APPACEBLM
SCHEMBL3904822 0.97 TDP1 (0.75) TDP1EYA2APPACEBLM
SCHEMBL12517909 0.97 TDP1 (0.75) TDP1EYA2APPACEBLM
SCHEMBL10005587 0.97 TDP1 (0.75) TDP1EYA2APPACEBLM
SCHEMBL6124947 0.97 TDP1 (0.75) TDP1EYA2APPACEBLM
SCHEMBL19700801 0.91 TDP1 (0.61) TDP1EYA2APPACEBLM
SCHEMBL22054415 0.91 TDP1 (0.61) TDP1EYA2APPACEBLM

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331767-A1 TARGETED STEROID COMPOUNDS PURDUE RESEARCH FOUNDATION 2023-10-19 US disclosed
WO-2021155292-A1 FIBROBLAST ACTIVATION PROTEIN (FAP) - TARGETED ANTIFIBROTIC THERAPY LOW PHILIP STEWART (US) 2021-08-05 WO disclosed
WO-2021155288-A1 FIBROBLAST ACTIVATION PROTEIN (FAP) - TARGETED ANTIFIBROTIC THERAPY LOW PHILIP STEWART (US) 2021-08-05 WO disclosed
US-9984711-B2 Magnetic recording medium and coating composition for magnetic recording medium FUJIFILM CORPORATION (JP) 2018-05-29 US disclosed
US-20170372742-A1 MAGNETIC TAPE AND MAGNETIC TAPE DEVICE FUJIFILM CORPORATION (JP) 2017-12-28 US disclosed
US-20170266303-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES PURDUE RESEARCH FOUNDATION 2017-09-21 US disclosed
US-9704525-B2 Magnetic tape FUJIFILM CORPORATION (JP) 2017-07-11 US disclosed
US-9555139-B2 Binding ligand linked drug delivery conjugates of tubulysins ENDOCYTE, INC. (US) 2017-01-31 US disclosed
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE INC (IN) 2016-12-15 US disclosed
US-20160276076-A1 MAGNETIC TAPE FUJIFILM CORPORATION (JP) 2016-09-22 US disclosed
US-20160093321-A1 MAGNETIC RECORDING MEDIUM AND COATING COMPOSITION FOR MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2016-03-31 US disclosed
US-9138484-B2 Conjugates containing hydrophilic spacer linkers ENDOCYTE, INC. (US) 2015-09-22 US disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20140073761-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS ENDOCYTE, INC. (US) 2014-03-13 US disclosed
US-20140066594-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS ENDOCYTE, INC. (US) 2014-03-06 US disclosed
US-20100323973-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS ENDOCTYE, INC. 2010-12-23 US disclosed
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS ENDOCYTE, INC. 2010-02-25 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 (7 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-20230331767-A1 TARGETED STEROID COMPOUNDS CYP11B2, FOLR2, CYP11B1 TDP1 3532/4885EYA2 3727/4885APP 1851/4885
US-20140066594-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS TEK, TEKT1, VDR TDP1 3735/4885EYA2 3449/4885APP 3550/4885
US-20170266303-A1 METHODS OF TREATING CANCER BY TARGETING TUMOR-ASSOCIATED MACROPHAGES FOLR1, FOLR2, FOLH1 TDP1 4113/4885EYA2 4795/4885APP 3822/4885
US-20160361432-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 TDP1 2364/4885EYA2 1972/4885APP 1091/4885
US-20100048490-A1 BINDING LIGAND LINKED DRUG DELIVERY CONJUGATES OF TUBULYSINS TEK, TEKT1, VDR TDP1 3735/4885EYA2 3449/4885APP 3550/4885
US-20100323973-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS CD44, HAVCR2, HCAR1 TDP1 4073/4885EYA2 4503/4885APP 1558/4885
US-20140073761-A1 CONJUGATES CONTAINING HYDROPHILIC SPACER LINKERS CD44, HAVCR2, HCAR1 TDP1 4073/4885EYA2 4503/4885APP 1558/4885

“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.