SCHEMBL6512105

SCHEMBL6512105

CC(C)(C)OC(=O)NCCP(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PGK1 P00558 1/20 0.46
PGK2 P07205 1/20 0.46
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
EPHX1 P07099 1/20 0.44
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ANPEP P15144 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL3364707 0.89 TDP1 (0.59) TDP1MEN1GAAKMT2AMAOA
SCHEMBL4428348 0.88 MAOA (0.55) TDP1MEN1GAAKMT2AMAOA
SCHEMBL19229493 0.87 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL46654 0.82 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30736664 0.81 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.81 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA
SCHEMBL12434722 0.80 MEN1 (0.50) TDP1MEN1GAAKMT2AMAOA
Hydrochloric Acid SCHEMBL594676 0.80 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
Ammonia Solution, Strong SCHEMBL17160804 0.80 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL17038780 0.79 PGK1 (0.47) PGK1PGK2EPHX1ANPEPALDH1A1

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-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-20050123533-A1 Prodrugs activated by targeted catalytic proteins WELLSTAT BIOCATALYSIS, LLC 2005-06-09 US disclosed
US-6702705-B1 Prodrugs activated by targeted catalytic proteins IGEN INTERNATIONAL, INC. 2004-03-09 US disclosed
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins IGEN, INC. 2003-05-22 US disclosed
US-6258360-B1 BENZOATE CONJUGATES; ANTITUMOR AGENTS IGEN INTERNATIONAL, INC. 2001-07-10 US disclosed
CN-1044911-C Process for preparing prodrug IGEN INC (US) 1999-09-01 CN disclosed
CN-1217335-A Method for preparing precursor medicine IGEN INC (US) 1999-05-26 CN disclosed
CN-1070409-A Prodrugs activated by targetted catalytic proteins IGEN INC (US) 1993-03-31 CN 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 (5 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-20050123533-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP TDP1 841/4885MEN1 2940/4885GAA 166/4885
US-20030096765-A1 Prodrugs activated by targeted catalytic proteins DNPH1, DNPEP, PNP TDP1 841/4885MEN1 2940/4885GAA 166/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TDP1 4456/4885MEN1 284/4885GAA 1827/4885
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, CFH TDP1 3296/4885MEN1 823/4885GAA 3663/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH TDP1 3296/4885MEN1 823/4885GAA 3663/4885

“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.