SCHEMBL4513638

SCHEMBL4513638

COc1ccc(S(=O)(=O)N2CCCC(c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.47
ALDH1A1 P00352 6/20 0.46
USP2 O75604 4/20 0.46
HPGD P15428 4/20 0.46
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.45
CYP19A1 P11511 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL13865802 0.90 ALDH1A1 (0.50) TYK2ALDH1A1USP2HPGDMAPK1
SCHEMBL4513634 0.86 PDE9A (0.51) MAPK1LMNA
SCHEMBL13865839 0.78 TYK2 (0.52) TYK2ALDH1A1USP2HPGDMAPK1
SCHEMBL13865863 0.76 PDE9A (0.57) MAPT
SCHEMBL13865830 0.75 PDE9A (0.57) MEN1KMT2ANPC1
SCHEMBL13865813 0.75 PDE9A (0.58) TSHR
SCHEMBL13865871 0.75 KHK (0.61) ALDH1A1USP2HPGDMAPK1NPSR1
SCHEMBL13865845 0.74 HPGD (0.54) TYK2ALDH1A1HPGDMAPK1NPSR1
SCHEMBL4516124 0.73 TYK2 (0.54) TYK2ALDH1A1USP2HPGDMAPK1
SCHEMBL4504690 0.73 TYK2 (0.49) TYK2ALDH1A1USP2HPGDMAPK1

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
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO claimed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (5 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885ALDH1A1 1873/4885USP2 1541/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A TYK2 4749/4885ALDH1A1 1254/4885USP2 1549/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B TYK2 3816/4885ALDH1A1 240/4885USP2 970/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A TYK2 4707/4885ALDH1A1 1873/4885USP2 1541/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A TYK2 4759/4885ALDH1A1 1336/4885USP2 1564/4885

“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.