SCHEMBL4592053

SCHEMBL4592053

Nc1ccc(C(=O)C(=O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.61
CES2 O00748 4/20 0.48
CES1 P23141 3/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
LMNA P02545 2/20 0.46
APEX1 P27695 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTPRC P08575 3/20 0.45
PTPN1 P18031 3/20 0.45
PTPN2 P17706 1/20 0.45
PARP10 Q53GL7 1/20 0.45
MASP2 O00187 1/20 0.44

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
SCHEMBL1888848 0.86 CES2 (0.55) CES2CES1MAPTKDM4EHIF1A
SCHEMBL7611819 0.86 CPT1B (0.78) CPT1BCES2CES1PTPRCPTPN1
Hydrochloric Acid SCHEMBL28122115 0.83 CES2 (0.52) CES2CES1MAPTKDM4EHIF1A
Hydrochloric Acid SCHEMBL29249310 0.83 CPT1B (0.74) CPT1BCES2CES1PTPRCPTPN1
SCHEMBL7887870 0.82 CES2 (0.75) CES2CES1MAPTKDM4ELMNA
SCHEMBL10405285 0.81 CPT1B (0.41) CPT1BCES2CES1MAPTKDM4E
Oxalic Acid SCHEMBL6915099 0.80 MAPT (0.57) MAPTKDM4EHIF1ASLC22A6SLC22A8
SCHEMBL7030327 0.79 MASP2 (0.50) CES2CES1MAPTKDM4EHIF1A
SCHEMBL27523102 0.79 CPT1B (0.61) CPT1BCES2CES1MAPTKMT2A
Aminobenzoic Acid SCHEMBL8249 0.78 TSHR (0.71) CES2CES1MAPTKDM4EHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US disclosed
WO-2024091437-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-02 WO disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
CN-101198607-A Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2008-06-11 CN disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 EP disclosed
US-20050016402-A1 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. 2005-01-27 US disclosed
EP-1484177-A2 Lithographic process involving on press development FUJI PHOTO FILM CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003055866-A1 QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 WO disclosed
EP-0747756-B1 Photographic materials AGFA GEVAERT NV (BE) 2000-05-24 EP disclosed
US-5252707-A Controlling metabolic procersses MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1993-10-12 US disclosed
EP-0445299-A1 INOSITOL DERIVATIVE AND PRODUCTION THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-09-11 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 (1 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-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ADCY3, ADCY8, ADCY7 CPT1B 3798/4885CES2 2935/4885CES1 3265/4885

“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.