SCHEMBL5046963

SCHEMBL5046963

O=C(Nc1c(F)cccc1F)c1cnc(-c2cc(-c3nccs3)ccc2Cl)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 2/20 0.45
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
VCP P55072 1/20 0.40
HDAC2 Q92769 2/20 0.39
S1PR4 O95977 1/20 0.39
LCK P06239 3/20 0.39
PTPN11 Q06124 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ABL1 P00519 1/20 0.38
MAPK11 Q15759 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
SCHEMBL5048871 0.89 IL2 (0.44) IL2STIM1ORAI1VCPHDAC2
SCHEMBL5052756 0.80 IL2 (0.69) IL2S1PR4LCKABL1MAPK11
SCHEMBL15705241 0.80 IL2 (0.48) IL2S1PR4LCKPTPN11ABL1
SCHEMBL15861560 0.79 STIM1 (0.45) IL2STIM1ORAI1VCPHDAC2
SCHEMBL2813073 0.77 IL2 (0.47) IL2STIM1ORAI1VCPHDAC2
SCHEMBL4767857 0.76 IL2 (0.61) IL2VCPHDAC2LCKABL1
SCHEMBL438987 0.75 L3MBTL1 (0.45) IL2STIM1ORAI1VCPABL1
SCHEMBL12848724 0.75 KDM4E (0.42) STIM1ORAI1VCPHDAC2HDAC3
SCHEMBL2813597 0.74 IL2 (0.48) IL2STIM1ORAI1VCPLCK
SCHEMBL437873 0.74 SMN1; SMN2 (0.55) VCPHDAC2HDAC3HDAC4HDAC1

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-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

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 29/4885STIM1 1236/4885ORAI1 3001/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 IL2 29/4885STIM1 1236/4885ORAI1 3001/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 IL2 29/4885STIM1 1236/4885ORAI1 3001/4885

“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.