SCHEMBL986983

SCHEMBL986983

COc1ccc(NCc2c(Cl)cncc2Cl)cc1OCCS

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
DHFR P00374 6/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPX4 P36969 3/20 0.39
APAF1 O14727 1/20 0.39
CYP2B6 P20813 1/20 0.38

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
SCHEMBL986720 0.89 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CUTS2R
SCHEMBL986982 0.88 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CUTS2R
SCHEMBL1009756 0.87 PDE4D (0.53) PDE4DDHFRMAPTALDH1A1KDM4E
SCHEMBL8006958 0.81 PDE4D (0.50) PDE4DPDE4APDE4BPDE4C
SCHEMBL984917 0.76 PDE4D (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL3117592 0.67 MAPT (0.58) DHFRMAPTALDH1A1KDM4EMEN1
SCHEMBL2227760 0.67 ALDH1A1 (0.56) DHFRMAPTALDH1A1KDM4EMEN1
SCHEMBL6413627 0.67 UTS2R (0.57) UTS2R
SCHEMBL8211561 0.66 TAAR1 (0.51)
SCHEMBL1157410 0.65 C5AR1 (0.46) PDE4DPDE4APDE4BPDE4CDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 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-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4D 2679/4885PDE4A 1873/4885PDE4B 2412/4885

“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.