SCHEMBL9951843

SCHEMBL9951843

O=C(CCc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.73
LMNA P02545 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
GAA P10253 3/20 0.73
ALDH1A1 P00352 3/20 0.73
HTT P42858 2/20 0.73
CNR1 P21554 5/20 0.70
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
RAB9A P51151 1/20 0.61
MAPT P10636 3/20 0.55
RECQL P46063 1/20 0.54
ATM Q13315 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
HPGD P15428 1/20 0.51
HSD11B1 P28845 1/20 0.50

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
SCHEMBL10081830 0.90 CNR1 (0.72) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL9951915 0.88 PKM (0.80) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL10064224 0.86 PKM (0.81) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL4386367 0.85 CNR1 (0.82) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL7073594 0.83 PKM (0.72) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL4271444 0.82 CNR1 (1.00) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL7074609 0.77 PLG (0.66) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL9950444 0.77 PKM (1.00) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL5736725 0.76 F10 (0.60) PKMLMNASMN1; SMN2GAAALDH1A1
SCHEMBL5736557 0.76 GAA (0.63) PKMLMNASMN1; SMN2GAAALDH1A1

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-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
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-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US 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
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 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 (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 10/4885LMNA 1420/4885SMN1; SMN2 3566/4885

“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.