SCHEMBL17456028

SCHEMBL17456028

COc1ccc(S(=O)(=O)N2CCC(Oc3ncncc3-c3ccncc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HTT P42858 1/20 0.44
▸ PKM P14618 3/20 0.43
▸ PIK3CD O00329 2/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ CCR6 P51684 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKLR P30613 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL17455935 0.89 PIK3CD (0.42) MAPTPIK3CDRAB9ACYP2C19
SCHEMBL17456039 0.84 MAPT (0.55) MAPTSMN1; SMN2HTTPKMPIK3CD
SCHEMBL17456054 0.82 PIK3C3 (0.39) PIK3CD
SCHEMBL17456004 0.78 SMN1; SMN2 (0.52) MAPTSMN1; SMN2HTTPKMCCR6
SCHEMBL17455969 0.72 HTR2B (0.43) MAPTRAB9AGAACYP2C19
SCHEMBL17455977 0.72 SMN1; SMN2 (0.49) MAPTSMN1; SMN2HTTSCN9ACCR6
SCHEMBL17456043 0.72 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTPKMPIK3CD
SCHEMBL17456027 0.70 CHRM1 (0.46) PIK3CD
SCHEMBL24466985 0.68 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTPKMCCR6
SCHEMBL29808613 0.68 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTPKMCCR6

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 9 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
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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