SCHEMBL3042576

SCHEMBL3042576

Cc1nc(-c2ccn(CCc3ccc(OC(F)(F)F)cc3)n2)sc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.47
PPARD Q03181 4/20 0.47
PPARG P37231 2/20 0.42
TARBP2 Q15633 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 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
SCHEMBL3047610 0.90 PPARA (0.48) PPARAPPARDPPARGTARBP2SMN1; SMN2
SCHEMBL3048221 0.89 TARBP2 (0.46) PPARATARBP2SMN1; SMN2KDM4ERAB9A
SCHEMBL3043252 0.86 SMN1; SMN2 (0.45) PPARAPPARDTARBP2SMN1; SMN2KDM4E
SCHEMBL13137880 0.82 PPARA (0.52) PPARAPPARDPPARG
SCHEMBL5903919 0.79 HDAC1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3048578 0.78 ALDH1A1 (0.50) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL14290684 0.78 PPARA (0.43) PPARAPPARDPPARGSMN1; SMN2NPC1
SCHEMBL3040897 0.78 KDM4E (0.50) TARBP2SMN1; SMN2KDM4ERAB9AGAA
SCHEMBL8341061 0.78 RAB9A (0.65) PPARAPPARDPPARGTARBP2SMN1; SMN2
SCHEMBL3046039 0.77 TARBP2 (0.47) PPARAPPARDTARBP2SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086970-B1 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2014-02-26 EP claimed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US claimed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 US claimed
EP-2086970-A2 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS Novartis AG (CH) 2009-08-12 EP claimed
WO-2008024390-A2 2- (PYRAZIN-2-YL) -THIAZOLE AND 2- (1H-PYRAZ0L-3-YL) -THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2008-02-28 WO claimed
EP-2086970-B1 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-1423115-B9 ANTIANGIOGENIC ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS CHILDRENS MEDICAL CENTER (US) 2009-09-02 EP disclosed
EP-1423115-B1 ANTIANGIOGENIC ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS CHILDRENS MEDICAL CENTER (US) 2009-04-15 EP disclosed
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs CELGENE CORPORATION 2007-05-10 US disclosed
US-7153867-B2 Use of nitrogen substituted thalidomide analogs for the treatment of macular degenerator CELGENE CORPORATION (US) 2006-12-26 US disclosed
EP-1423115-A4 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS CHILDRENS MEDICAL CENTER (US) 2006-08-16 EP disclosed
EP-1423115-A2 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS The Children's Medical Center Corporation (US) 2004-06-02 EP disclosed
US-20030139451-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs CHILDREN'S MEDICAL CENTER CORPORATION, THE 2003-07-24 US disclosed
WO-2003014315-A2 SYNTHESIS AND ANTI-TUMOR ACTIVITY OF NITROGEN SUBSTITUTED THALIDOMIDE ANALOGS THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2003-02-20 WO 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 (3 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-20030139451-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs VEGFA, FLT4, FLT1 PPARA 2041/4885PPARD 2045/4885PPARG 2947/4885
US-20100239520-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 PPARA 51/4885PPARD 33/4885PPARG 28/4885
US-20070105903-A1 Synthesis and anti-tumor activity of nitrogen substituted thalidomide analogs VEGFA, FLT4, FLT1 PPARA 2041/4885PPARD 2045/4885PPARG 2947/4885

“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.