SCHEMBL16084080

SCHEMBL16084080

O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCC(O)(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 14/20 1.00
▸ CYP3A4 P08684 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ RXFP1 Q9HBX9 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL15713347 0.91 PKLR (0.83) PKLRCYP3A4GAACYP2C19RXFP1
SCHEMBL16083871 0.90 PKLR (0.82) PKLRCYP3A4GAACYP2C19RXFP1
SCHEMBL16084069 0.87 PKLR (1.00) PKLRGAAALDH1A1SMN1; SMN2
SCHEMBL16083896 0.86 PKLR (1.00) PKLR
SCHEMBL16083997 0.85 PKLR (0.77) PKLR
SCHEMBL21977027 0.84 PKLR (0.72) PKLRCYP3A4GAACYP2C19RXFP1
SCHEMBL16084066 0.83 PKLR (1.00) PKLR
SCHEMBL16130053 0.82 PKLR (0.80) PKLRGAAALDH1A1HTTSMN1; SMN2
SCHEMBL16083860 0.82 PKLR (0.82) PKLRGAAALDH1A1SMN1; SMN2
SCHEMBL16084068 0.81 PKLR (1.00) PKLRGAAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 — — US disclosed
US-9365545-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2016-06-14 — — US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC 2015-11-26 — — US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 — — US disclosed
US-9108921-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2015-08-18 — — US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 — — US disclosed
US-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2014-09-25 — — US disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — 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 (2 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-20140288081-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 PKLR 14/4885CYP3A4 2081/4885GAA 249/4885
US-20150336931-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PC, PDK2 PKLR 14/4885CYP3A4 2081/4885GAA 249/4885

“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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