SCHEMBL10080586

SCHEMBL10080586

O=C(COc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.59
PKLR P30613 4/20 0.59
LMNA P02545 5/20 0.57
USP2 O75604 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
RAB9A P51151 2/20 0.57
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
NPC1 O15118 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 3/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 2/20 0.52

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
SCHEMBL10064238 0.87 PKM (0.66) PKMPKLRLMNAUSP2HTT
SCHEMBL10064245 0.87 PKM (0.66) PKMPKLRLMNAUSP2HTT
SCHEMBL1710943 0.82 PKM (0.79) PKMPKLRLMNAHTTRAB9A
SCHEMBL945098 0.82 PKM (0.67) PKMPKLRLMNAUSP2HTT
SCHEMBL15503721 0.77 GAA (0.63) PKMPKLRLMNAUSP2HTT
SCHEMBL18286663 0.76 CNR1 (0.67) PKMLMNA
SCHEMBL28819229 0.75 PKM (0.59) PKMLMNAUSP2SMN1; SMN2GAA
SCHEMBL1723050 0.74 PKM (1.00) PKMPKLRLMNAHTTRAB9A
SCHEMBL12943731 0.74 MDH1 (0.46) PKMLMNAHTTSMN1; SMN2RAB9A
SCHEMBL1722758 0.73 PKM (1.00) PKMPKLRLMNAHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 PKM 10/4885PKLR 39/4885LMNA 1420/4885

“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.