SCHEMBL3337860

SCHEMBL3337860

Oc1cc(C(S)c2cccc(F)c2F)nc2cc(-c3cccc(Cl)c3)nn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
ALDH1A1 P00352 7/20 0.36
HPGD P15428 6/20 0.36
KDM4E B2RXH2 5/20 0.36
LMNA P02545 5/20 0.36
NPSR1 Q6W5P4 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FYN P06241 2/20 0.35
PDE4D Q08499 2/20 0.35

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
SCHEMBL3340932 0.93 PDE4D (0.32) MAPTNPC1RAB9APDE4DTRPV1
SCHEMBL3339097 0.85 KDM4E (0.30) ALDH1A1HPGDKDM4E
SCHEMBL2638146 0.81 KDM4E (0.31) ALDH1A1HPGDKDM4E
SCHEMBL3338764 0.78 MEN1 (0.31) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL3344737 0.76 FYN (0.30) FYN
SCHEMBL3344624 0.75 CXCR2 (0.36)
SCHEMBL3338639 0.74 PDE10A (0.33)
SCHEMBL3336586 0.74 MAPT (0.35) MAPT
SCHEMBL3337864 0.74 CXCR2 (0.49) DPP4DPP8DPP9FYN
SCHEMBL3365721 0.74 NPC1 (0.34) MAPTSMN1; SMN2NPC1RAB9ATP53

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-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 US claimed
EP-2094697-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A]PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS Novartis AG (CH) 2009-09-02 EP claimed
WO-2008062026-A1 5-SULFANYLMETHYL-PYRAZOLO [1,5-A] PYRIMIDIN-7-OL DERIVATIVES AS CXCR2 ANTAGONISTS NOVARTIS AG (CH) 2008-05-29 WO claimed
US-20100152205-A1 CXCR2 INHIBITORS NOVARTIS AG 2010-06-17 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
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 (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-20100152205-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR3 DPP4 2740/4885DPP8 1713/4885DPP9 1295/4885

“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.