SCHEMBL7110957

SCHEMBL7110957

COc1ccc(C2CSC(NN(NC3=NC(c4cccc(Br)c4)CS3)C3=NC(CSCc4ccccc4)CS3)=N2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
NPY1R P25929 1/20 0.30

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
SCHEMBL7110631 0.88 ALDH1A1 (0.35) RORCNPY1R
SCHEMBL7112812 0.84 HDAC3 (0.33) RORCMMP1MMP2MMP3MMP9
SCHEMBL7110961 0.84 HDAC3 (0.33) RORCMMP1MMP2MMP3MMP9
SCHEMBL7109313 0.75 ALDH1A1 (0.38) RORCNPY1R
SCHEMBL7110629 0.70 ALDH1A1 (0.40) RORC
SCHEMBL7109309 0.68 KDM1A (0.38) RORC
SCHEMBL6255710 0.64 LMNA (0.37) NPY1R
SCHEMBL7569169 0.59 RAB9A (0.38)
SCHEMBL6255689 0.59 GABRA1 (0.44)
SCHEMBL6255685 0.59 GABRA1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299103-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof AVENTIS PHARMA S.A. (FR) 2002-02-14 US disclosed
WO-2001093867-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 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-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof ALK, QDPR, CYP3A7 RORC 1021/4885MMP1 3608/4885MMP2 3830/4885

“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.