SCHEMBL3365611

SCHEMBL3365611

Oc1cc(C(S)c2cc(Cl)cc(Cl)c2)nc2nc(Cc3ccccc3)nn12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.45
TP53 P04637 7/20 0.39
POLB P06746 4/20 0.35
MAPT P10636 1/20 0.34
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM1A O60341 1/20 0.31
CXCR2 P25025 1/20 0.31
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 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
SCHEMBL3367395 0.88 ALDH1A1 (0.43) ALDH1A1TSHRTP53POLBMAPT
SCHEMBL3368005 0.86 TSHR (0.44) ALDH1A1TSHRTP53CYP3A4KDM1A
SCHEMBL3368708 0.85 TSHR (0.44) ALDH1A1TSHRTP53POLBNR1H2
SCHEMBL3365523 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTP53POLBMAPT
SCHEMBL3368371 0.84 TSHR (0.48) ALDH1A1TSHRTP53POLBMAPT
SCHEMBL3368603 0.83 ALDH1A1 (0.45) ALDH1A1TSHRTP53POLBMAPT
SCHEMBL3368020 0.81 TSHR (0.46) ALDH1A1TSHRTP53POLBMAPT
SCHEMBL3365645 0.81 TSHR (0.41) ALDH1A1TSHRTP53
SCHEMBL3368431 0.81 TP53 (0.46) ALDH1A1TSHRTP53POLBMAPT
SCHEMBL3367660 0.80 TSHR (0.39) ALDH1A1TSHRTP53CXCR2

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 ALDH1A1 931/4885TSHR 2129/4885TP53 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.