SCHEMBL3338632

SCHEMBL3338632

CN(C)C(=S)Oc1cccc(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.34
TRPA1 O75762 1/20 0.33
CES2 O00748 1/20 0.33
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL28185956 0.83 NPC1 (0.35) ALDH1A1MAPTNPC1POLBRECQL
SCHEMBL2473324 0.79 KMT2A (0.49) ALDH1A1MAPTNPC1POLBRECQL
SCHEMBL6146229 0.75 MAPT (0.42) ALDH1A1MAPTNPC1POLBRECQL
SCHEMBL4523592 0.73 MAPT (0.46) ALDH1A1MAPTNPC1POLBRECQL
SCHEMBL24813703 0.72 TP53 (0.48) ALDH1A1MAPTNPC1POLBRECQL
SCHEMBL13158912 0.72 ALDH1A1 (0.39) ALDH1A1MAPTNPC1POLBRECQL
SCHEMBL1700833 0.72 MAPK1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL15759391 0.72 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HPGDKMT2A
SCHEMBL31200468 0.72 MAPK1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL25329639 0.70 MAPK1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT

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 7 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 disclosed
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 US disclosed
US-20100069407-A1 CXCR2 inhibitors PRESS NEIL JOHN 2010-03-18 US disclosed
EP-2094697-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A]PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP 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
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [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 (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-20100069407-A1 CXCR2 inhibitors CXCR2, CXCR1, CXCR3 SLC6A2 3761/4885SLC6A4 4149/4885SLC6A3 3977/4885
US-20100152205-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 SLC6A2 3761/4885SLC6A4 4149/4885SLC6A3 3977/4885

“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.