SCHEMBL9950819

SCHEMBL9950819

COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
CYP3A4 P08684 2/20 0.69
CYP2C19 P33261 2/20 0.69
PKM P14618 6/20 0.67
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CPT2 P23786 1/20 0.62
CPT1A P50416 1/20 0.62
CPT1B Q92523 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP2C9 P11712 1/20 0.59
ALOX12 P18054 1/20 0.59
LMNA P02545 3/20 0.58
POLB P06746 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.54

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
SCHEMBL18286676 0.83 GAA (0.70) GAACYP3A4CYP2C19PKMALDH1A1
SCHEMBL9952317 0.83 GAA (0.70) GAACYP3A4CYP2C19PKMALDH1A1
SCHEMBL31474801 0.77 KDM4E (0.64) GAACYP3A4CYP2C19PKMALDH1A1
SCHEMBL9950690 0.76 PKM (0.83) GAAPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL9951108 0.76 PKM (0.64) GAAPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL9951161 0.75 PKM (0.71) GAAPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL1101965 0.75 ALDH1A1 (0.79) GAACYP3A4CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL11932402 0.75 GAA (0.85) GAAPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL10064235 0.74 PKM (0.61) GAAPKMALDH1A1SMN1; SMN2MEN1
SCHEMBL752279 0.74 GAA (0.85) GAAPKMALDH1A1SMN1; SMN2MEN1

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 GAA 1430/4885CYP3A4 3797/4885CYP2C19 4555/4885

“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.