Sugi Predict

Sugi Predict / Compounds / SCHEMBL3250475

SCHEMBL3250475

SCHEMBL3250475

C/C(O)=C(\C#N)C(=O)Nc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 10/20 0.82
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ G6PD P11413 1/20 0.57
▸ CACNA1B Q00975 1/20 0.57
▸ APBA1 Q02410 1/20 0.57
▸ RAB9A P51151 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ BTK Q06187 1/20 0.54

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
SCHEMBL5914902 1.00 DHODH (0.82) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL3250476 1.00 DHODH (0.82) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL21067830 0.90 DHODH (1.00) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL12588738 0.89 DHODH (0.67) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL8810371 0.88 DHODH (0.74) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL9079477 0.88 DHODH (0.74) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL9080958 0.88 DHODH (0.74) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL8810121 0.88 DHODH (0.74) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL12202668 0.86 DHODH (0.72) DHODHMEN1KMT2AG6PDCACNA1B
SCHEMBL7517127 0.86 DHODH (0.68) DHODHMEN1KMT2AG6PDCACNA1B

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773470-A TREATING RHEUMATIC DISEASES, AUTOIMMUNE DISEASES AND REJECTION REACTIONS DUE TO ORGAN TRANSPLANTING HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-30 — — US claimed
US-5747664-A N-Phenyl-2-cyano-3-hydroxycrotonamide derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-05 — — US claimed
EP-0538783-B1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AG (DE) 1995-09-27 — — EP claimed
EP-0538783-A1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 — — EP claimed
US-8420856-B2 Process for preparation of teriflunomide ALEMBIC LTD. (ID) 2013-04-16 — — US disclosed
US-8420856-B2 Process for preparation of teriflunomide ALEMBIC LTD. (ID) 2013-04-16 — — US disclosed
US-8389757-B2 Process for preparing teriflunomide ALEMBIC LTD. (IN) 2013-03-05 — — US disclosed
US-20110105795-A1 PROCESS FOR PREPARATION OF TERIFLUNOMIDE Akembic Ltd. (IN) 2011-05-05 — — US disclosed
US-20110092727-A1 PROCESS FOR PREPARING TERIFLUNOMIDE ALEMBIC LIMITED (IN) 2011-04-21 — — US disclosed
EP-1606246-B1 METHOD FOR PRODUCING 2-CYAN-3-HYDROXY-N-(PHENYL)BUT-2-ENE AMIDES SANOFI AVENTIS DEUTSCHLAND (DE) 2010-05-19 — — EP disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-5773470-A TREATING RHEUMATIC DISEASES, AUTOIMMUNE DISEASES AND REJECTION REACTIONS DUE TO ORGAN TRANSPLANTING HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-30 — — US disclosed
US-5773470-A TREATING RHEUMATIC DISEASES, AUTOIMMUNE DISEASES AND REJECTION REACTIONS DUE TO ORGAN TRANSPLANTING HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-30 — — US disclosed
US-5747664-A N-Phenyl-2-cyano-3-hydroxycrotonamide derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-05 — — US disclosed
US-5747664-A N-Phenyl-2-cyano-3-hydroxycrotonamide derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-05 — — US disclosed
US-5747664-A N-Phenyl-2-cyano-3-hydroxycrotonamide derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-05 — — US disclosed
EP-0538783-B1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AG (DE) 1995-09-27 — — EP disclosed
EP-0538783-A1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 — — EP disclosed
EP-0538783-A1 N-phenyl-2-cyano-3-hydroxycrotonic acid amid derivatives and their use as medicaments having immunomodulating properties HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-28 — — 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES DHODH 2725/4885MEN1 4122/4885KMT2A 4832/4885
US-20110105795-A1 PROCESS FOR PREPARATION OF TERIFLUNOMIDE CYP3A5, CYP51A1, CYP2F1 DHODH 76/4885MEN1 1390/4885KMT2A 1494/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN DHODH 1916/4885MEN1 914/4885KMT2A 2630/4885
US-20110092727-A1 PROCESS FOR PREPARING TERIFLUNOMIDE FIP1L1, CYP2F1, FDPS DHODH 52/4885MEN1 1346/4885KMT2A 1802/4885

“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.