SCHEMBL17456039

SCHEMBL17456039

COc1ccc(S(=O)(=O)N2CCC(Oc3nccnc3-c3ccncc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ HTT P42858 2/20 0.47
▸ PKM P14618 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ PKLR P30613 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ CCR6 P51684 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
SCHEMBL17455969 0.88 HTR2B (0.43) MAPTRAB9AGAACYP2C19
SCHEMBL17456004 0.87 SMN1; SMN2 (0.52) MAPTSMN1; SMN2HTTPKMRAB9A
SCHEMBL17456028 0.84 MAPT (0.51) MAPTSMN1; SMN2HTTPKMRAB9A
SCHEMBL17456027 0.83 CHRM1 (0.46) PIK3CDPIK3CA
SCHEMBL17456001 0.82 PIK3CD (0.46) KDM4EPIK3CDPIK3CA
SCHEMBL17456043 0.81 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTPKMRAB9A
SCHEMBL17455962 0.80 PDE10A (0.45) PIK3CDPIK3CA
SCHEMBL21238874 0.78 PDE10A (0.39) GAA
SCHEMBL17455999 0.76 SCN3A (0.40) MAPTPKMPKLRALDH1A1PIK3CA
SCHEMBL17456044 0.76 MCHR1 (0.44) MAPTRAB9AGAAKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 MAPT 78/4885SMN1; SMN2 23/4885HTT 20/4885

“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.

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