SCHEMBL4742448

SCHEMBL4742448

CC(C)(C)OC(=O)CNC(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
PTPRC P08575 2/20 0.37
GAA P10253 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
DGAT1 O75907 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2D6 P10635 1/20 0.34
TET2 Q6N021 1/20 0.33
AKT1 P31749 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 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
SCHEMBL29177616 0.82 MLYCD (0.39) RECQLGAATDP1MAOAMAOB
SCHEMBL2842540 0.81 MEN1 (0.43) RECQLPTPRCGAACA12CA2
SCHEMBL4814182 0.81 RECQL (0.42) RECQLPTPRCGAACA12CA2
SCHEMBL4814188 0.81 RECQL (0.42) RECQLPTPRCGAACA12CA2
SCHEMBL22345261 0.80 RECQL (0.61) RECQLGAAL3MBTL1TET2
SCHEMBL19011660 0.79 MEN1 (0.35) MAOAMAOBMEN1KMT2A
SCHEMBL23299718 0.79 RECQL (0.41) RECQLPTPRCGAACA12CA2
SCHEMBL8558174 0.79 RECQL (0.50) RECQLPTPRCGAACA12CA2
SCHEMBL20829083 0.79 RECQL (0.41) RECQLPTPRCGAACA12CA2
SCHEMBL16761943 0.79 RECQL (0.41) RECQLPTPRCGAACA12CA2

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
CN-114931651-B Targeting-drug based on antibody IgG1-Fc structural domain, and preparation method and application thereof 武汉大学 2025-03-04 CN disclosed
CN-114931651-A Targeting-drug based on IgG1-Fc structural domain of antibody, and preparation method and application thereof 武汉大学 2022-08-23 CN disclosed
WO-2008098056-A2 HIGH RELAXIVITY CHELATES EPIX PHARMACEUTICALS, INC. (US) 2008-08-14 WO disclosed
US-20060275217-A1 Chemical exchange saturation transfer contrast agents EPIX PHARMACEUTICALS, INC. 2006-12-07 US disclosed
WO-2006121889-A2 CHEMICAL EXCHANGE SATURATION TRANSFER CONTRAST AGENTS EPIX PHARMACEUTICALS, INC. (US) 2006-11-16 WO disclosed
EP-0946525-B1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AG (DE) 2004-04-07 EP disclosed
EP-0946526-B1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AG (DE) 2003-10-29 EP disclosed
US-6045776-A Process for the production of metal-complex carboxylic acid amides SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-04 US disclosed
EP-0946525-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
EP-0946526-A1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1999-10-06 EP disclosed
US-5919433-A NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed
WO-1998024775-A1 METHOD FOR PRODUCING METAL COMPLEX CARBOXYLIC ACID AMIDES SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 WO disclosed
WO-1998024774-A1 MACROCYCLIC METAL COMPLEX CARBOXYLIC ACIDS, USE AND METHOD FOR THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1998-06-11 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 (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-20060275217-A1 Chemical exchange saturation transfer contrast agents SLC39A11, SLC30A7, SLC39A7 RECQL 4502/4885PTPRC 4544/4885GAA 1096/4885

“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.