SCHEMBL5274012

SCHEMBL5274012

Cc1ccc(-c2nnco2)cc1-c1ccc(C(N)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
NOTUM Q6P988 5/20 0.41
IKBKB O14920 1/20 0.41
CREBBP Q92793 1/20 0.40
IL2 P60568 1/20 0.40
BTK Q06187 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
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TSHR P16473 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL5270841 0.86 NOTUM (0.48) ALDH1A1HPGDMAPK1NOTUMIKBKB
SCHEMBL5274019 0.83 NOTUM (0.45) ALDH1A1HPGDMAPK1NOTUMTSHR
SCHEMBL5271637 0.81 IL2 (0.58) ALDH1A1HPGDIKBKBIL2BTK
SCHEMBL5469488 0.80 ALDH1A1 (0.46) ALDH1A1HPGDMAPK1NOTUMCREBBP
SCHEMBL5271715 0.80 LMNA (0.40) ALDH1A1HPGDIKBKBIL2BTK
SCHEMBL5273682 0.79 IKBKB (0.41) ALDH1A1HPGDIKBKBIL2BTK
SCHEMBL5275242 0.76 IKBKB (0.41) ALDH1A1HPGDNOTUMIKBKBIL2
SCHEMBL438958 0.76 NOTUM (0.46) ALDH1A1HPGDMAPK1NOTUMCREBBP
SCHEMBL5269931 0.76 CHEK1 (0.47) ALDH1A1HPGDIKBKBIL2BTK
SCHEMBL5273156 0.76 IKBKB (0.43) ALDH1A1HPGDIKBKBIL2BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802721-B2 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-12 US claimed
EP-1846388-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP claimed
US-20060199845-A1 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-09-07 US claimed
WO-2006081389-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 WO claimed
US-8802721-B2 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-12 US disclosed
EP-1846388-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-10-24 EP disclosed
US-20060199845-A1 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2006-09-07 US disclosed
WO-2006081389-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 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 (1 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-20060199845-A1 Thiophene compounds for inflammation and immune-related uses CXCR2, TPMT, CXCR1 ALDH1A1 2689/4885HPGD 2176/4885MAPK1 2315/4885

“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.