SCHEMBL5049062

SCHEMBL5049062

O=C(Nc1c(F)cccc1F)c1cnc(-c2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.51
NPY5R Q15761 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MDM2 Q00987 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTPN11 Q06124 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
PTPN1 P18031 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RORB Q92753 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL5052756 0.83 IL2 (0.69) IL2NPY5RMAPTKDM4EMDM2
SCHEMBL5048822 0.81 HDAC6 (0.56) IL2NPY5RALDH1A1HDAC1HDAC6
SCHEMBL23794594 0.80 ALDH1A1 (0.57) ALDH1A1HDAC1HDAC6MAPTKDM4E
SCHEMBL2434065 0.79 MAPT (0.50) ALDH1A1HDAC1HDAC6MAPTKDM4E
SCHEMBL5048762 0.78 IL2 (0.46) IL2HDAC1HDAC6KDM4ESMN1; SMN2
SCHEMBL30978301 0.77 MAPT (0.45) ALDH1A1MAPTKDM4EMDM2HKDC1
SCHEMBL14364255 0.74 NPY5R (0.50) IL2NPY5RALDH1A1MAPTKDM4E
SCHEMBL23794687 0.74 MAPT (0.64) ALDH1A1HDAC1HDAC6MAPTKDM4E
SCHEMBL16321002 0.73 IL2 (0.42) IL2ALDH1A1SMN1; SMN2KMT2A
SCHEMBL24187724 0.73 HPGDS (0.43) ALDH1A1SMN1; SMN2TLR7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US claimed
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-28 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 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-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 IL2 29/4885NPY5R 323/4885ALDH1A1 747/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 IL2 29/4885NPY5R 323/4885ALDH1A1 747/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 IL2 29/4885NPY5R 323/4885ALDH1A1 747/4885

“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.