SCHEMBL29617409

SCHEMBL29617409

[2H]C(S)CNC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
CA12 O43570 7/20 0.45
CA9 Q16790 7/20 0.45
EPHX1 P07099 1/20 0.45
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GFER P55789 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL29617414 0.88 TDP1 (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL320669 0.83 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.83 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL29617412 0.82 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL27183994 0.82 TDP1 (0.61) TDP1MEN1GAAKMT2AMAOA
SCHEMBL11052379 0.80 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30759450 0.79 TDP1 (0.52) TDP1MEN1GAAKMT2AMAOA
SCHEMBL24594841 0.79 TDP1 (0.52) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3020258 0.79 TDP1 (0.81) TDP1MEN1GAAKMT2AMAOA
SCHEMBL569251 0.79 TDP1 (0.74) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576051-B2 Methods and composition for treating respiratory obstructive diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-03-17 US disclosed
US-12391643-B2 Substituted amino-thiol and amino-disulfide compounds, and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-08-19 US disclosed
CN-113613642-B Substituted amino-thiol and amino-disulfide compounds and uses thereof 加利福尼亚大学董事会 2024-08-06 CN disclosed
US-20220265583-A1 METHODS AND COMPOSITION FOR TREATING RESPIRATORY OBSTRUCTIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-08-25 US disclosed
US-20220135524-A1 SUBSTITUTED AMINO-THIOL AND AMINO-DISULFIDE COMPOUNDS, AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-05-05 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 (4 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-12391643-B2 Substituted amino-thiol and amino-disulfide compounds, and uses thereof FABP1, CBS, CTH TDP1 2952/4885MEN1 3652/4885GAA 2219/4885
US-20220265583-A1 METHODS AND COMPOSITION FOR TREATING RESPIRATORY OBSTRUCTIVE DISEASES COX6C, CKMT1A; CKMT1B, MT-CO2 TDP1 3164/4885MEN1 4856/4885GAA 452/4885
US-20220135524-A1 SUBSTITUTED AMINO-THIOL AND AMINO-DISULFIDE COMPOUNDS, AND USES THEREOF FABP1, CBS, CTH TDP1 2952/4885MEN1 3652/4885GAA 2219/4885
US-12576051-B2 Methods and composition for treating respiratory obstructive diseases CFTR, CCR10, SLC26A4 TDP1 4301/4885MEN1 4871/4885GAA 2288/4885

“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.