SCHEMBL29918239

SCHEMBL29918239

C[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.56
MAPT P10636 1/20 0.56
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
CTSK P43235 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 2/20 0.50
CTSS P25774 2/20 0.50
GAA P10253 1/20 0.50
POLB P06746 2/20 0.48
CAPN1 P07384 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CXCR3 P49682 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
SCHEMBL8183191 0.90 MEN1 (0.57) TDP1MAPTCA1CA2CTSK
SCHEMBL16909076 0.90 MEN1 (0.57) TDP1MAPTCA1CA2CTSK
SCHEMBL31758256 0.88 TDP1 (0.61) TDP1MAPTCA1CA2NPSR1
SCHEMBL19975659 0.87 TDP1 (0.50) TDP1MAPTCA1CA2NPSR1
SCHEMBL16217782 0.87 TDP1 (0.50) TDP1MAPTCA1CA2NPSR1
SCHEMBL12179561 0.86 CTSS (0.55) TDP1CA1CA2NPSR1CTSK
SCHEMBL30064541 0.86 MAPT (0.62) MAPT
SCHEMBL12179560 0.86 TDP1 (0.58) TDP1CA1CA2NPSR1CTSK
SCHEMBL29918120 0.86 TDP1 (0.55) TDP1MAPTNPSR1MEN1KMT2A
SCHEMBL13702219 0.85 MEN1 (0.58) TDP1CA1CA2NPSR1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2024-06-27 US disclosed
EP-3786151-B1 METHOD FOR PRODUCING AMIDE COMPOUND CHUBU UNIV EDUCATIONAL FOUNDATION (JP) 2023-06-07 EP disclosed
US-11512108-B2 Method for producing amide compound CHUBU UNIVERSITY EDUCATIONAL FOUNDATION (JP) 2022-11-29 US disclosed
EP-4053101-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME Chubu University Educational Foundation (JP) 2022-09-07 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 (2 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-20240209020-A1 REACTION AGENT FOR AMIDE REACTION AND METHOD FOR PRODUCING AMIDE COMPOUND USING SAME NAAA, FAAH, FAAH2 TDP1 4649/4885MAPT 4324/4885CA1 136/4885
US-11512108-B2 Method for producing amide compound BCAT2, ASNS, VIP TDP1 4867/4885MAPT 2674/4885CA1 62/4885

“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.