SCHEMBL3869183

SCHEMBL3869183

O=C(Cl)CNC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA3 P07451 2/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA2 P00918 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
EPHX1 P07099 1/20 0.42
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL23366306 0.79 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1460181 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL517923 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL865926 0.76
SCHEMBL130951 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL22092385 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7771621 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9138159 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10779479 0.74
SCHEMBL21814803 0.73 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327447-A1 CHEMICAL SYNTHESIS OF CYTIDINE-5'-MONOPHOSPHO-N-GLYCYL-SIALIC ACID 89BIO, INC. (US) 2024-10-03 US disclosed
CN-118414344-A Chemical synthesis of cytidine-5' -monophosphate-N-glycyl-sialic acid 89生物公司 2024-07-30 CN disclosed
EP-4225766-A1 CHEMICAL SYNTHESIS OF CYTIDINE-5'-MONOPHOSPHO-N-GLYCYL-SIALIC ACID 89Bio, Inc. (US) 2023-08-16 EP disclosed
WO-2023122616-A1 CHEMICAL SYNTHESIS OF CYTIDINE-5'-MONOPHOSPHO-N-GLYCYL-SIALIC ACID 89BIO, INC. (US) 2023-06-29 WO disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2023-05-11 US disclosed
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES BYONDIS B.V. (NL) 2022-04-21 US disclosed
US-7527934-B2 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-05-05 US disclosed
US-20060057658-A1 Labeled substrate conjugates for identifying enzyme inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-03-16 US disclosed
WO-2006025983-A2 LABELED SUBSTRATE CONJUGATES FOR IDENTIFYING ENZYME INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-03-09 WO disclosed
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed
US-5721245-A ANTIINFLAMMATORY AGENTS, RESPIRATORY SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1998-02-24 US disclosed
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 EP disclosed
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0384349-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1990-08-29 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 (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-20230144211-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 ALDH1A1 1219/4885SMN1; SMN2 4478/4885POLB 2383/4885
US-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 ALDH1A1 192/4885SMN1; SMN2 1107/4885POLB 4364/4885
US-20240327447-A1 CHEMICAL SYNTHESIS OF CYTIDINE-5'-MONOPHOSPHO-N-GLYCYL-SIALIC ACID NEU2, NEU1, FUT5 ALDH1A1 809/4885SMN1; SMN2 2176/4885POLB 1547/4885
US-20220119392-A1 ANTIFOLATE LINKER-DRUGS AND ANTIBODY-DRUG CONJUGATES DHFR, FOLR1, MTHFD2 ALDH1A1 1219/4885SMN1; SMN2 4478/4885POLB 2383/4885

“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.