SCHEMBL1623348

SCHEMBL1623348

COCNC(=O)c1sc2ccccc2c1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.67
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
ATM Q13315 2/20 0.47
OGG1 O15527 1/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL347919 0.82 PTGS2 (0.76) PTGS2ALDH1A1HPGDKDM4EGAA
SCHEMBL347478 0.80 PTGS2 (1.00) PTGS2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL1805430 0.79 LMNA (0.69) PTGS2MAPK1LMNAALDH1A1HPGD
SCHEMBL347207 0.77 PTGS2 (1.00) PTGS2LMNAALDH1A1HPGDGAA
SCHEMBL346925 0.76 PTGS2 (0.80) PTGS2LMNAALDH1A1HPGDKDM4E
SCHEMBL347428 0.75 PTGS2 (0.70) PTGS2ALDH1A1HPGDMAPTMEN1
SCHEMBL10021087 0.74 PTGS2 (0.72) PTGS2ALDH1A1HPGDMAPTHDAC1
SCHEMBL2503631 0.74 PTGS2 (0.56) PTGS2MAPK1LMNAALDH1A1HPGD
SCHEMBL16599338 0.73 PTGS2 (0.59) PTGS2MAPK1LMNAALDH1A1HPGD
SCHEMBL10052333 0.73 PTGS2 (0.74) PTGS2SENP5SENP2SENP1NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928231-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2011-04-19 US disclosed
US-20100056514-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2010-03-04 US disclosed
US-7518000-B2 Thienopyrazoles AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20070254937-A1 Thienopyrazoles AVENTIS PHARMACEUTICALS INC. (US) 2007-11-01 US disclosed
EP-1682553-A1 THIENOPYRAZOLES Aventis Pharmaceuticals Inc. (US) 2006-07-26 EP disclosed
WO-2005026175-A1 THIENOPYRAZOLES AVENTIS PHARMACEUTICALS INC. (US) 2005-03-24 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 (2 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-20100056514-A1 THIENOPYRAZOLES ITK, IL2, TYK2 PTGS2 230/4885MAPK1 474/4885LMNA 4631/4885
US-20070254937-A1 Thienopyrazoles ITK, IL2, JAK2 PTGS2 92/4885MAPK1 322/4885LMNA 4668/4885

“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.