SCHEMBL3368708

SCHEMBL3368708

Oc1cc(C(S)c2ccc(F)c(F)c2)nc2nc(Cc3ccccc3)nn12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.39
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
CXCR2 P25025 1/20 0.35
GRIN2B Q13224 5/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ABCB1 P08183 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 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
SCHEMBL3368020 0.92 TSHR (0.46) TSHRALDH1A1TP53POLBCXCR2
SCHEMBL3368005 0.88 TSHR (0.44) TSHRALDH1A1TP53
SCHEMBL3368371 0.86 TSHR (0.48) TSHRALDH1A1TP53POLBCXCR2
SCHEMBL3367395 0.86 ALDH1A1 (0.43) TSHRALDH1A1TP53POLB
SCHEMBL3365611 0.85 ALDH1A1 (0.46) TSHRALDH1A1TP53POLBCXCR2
SCHEMBL3367792 0.84 TSHR (0.43) TSHRALDH1A1TP53POLBCXCR2
SCHEMBL3365645 0.84 TSHR (0.41) TSHRALDH1A1TP53GRIN2B
SCHEMBL3367911 0.83 TSHR (0.42) TSHRALDH1A1TP53POLBCXCR2
SCHEMBL3367660 0.82 TSHR (0.39) TSHRALDH1A1TP53CXCR2
SCHEMBL3368356 0.80 TSHR (0.44) TSHRALDH1A1TP53POLBCXCR2

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
EP-2094696-B1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2010-10-13 EP claimed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 US claimed
EP-2094696-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP claimed
WO-2008061741-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO claimed
EP-2094696-B1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 US disclosed
EP-2094696-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008061741-A1 5-SULFANYLMETHYL-[1,2,4] TRIAZOL[1, 5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 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-20100069407-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 TSHR 2129/4885ALDH1A1 931/4885TP53 1571/4885

“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.