SCHEMBL932695

SCHEMBL932695

C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)C[C@H](C)N1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
MCOLN3 Q8TDD5 3/20 0.63
PKM P14618 5/20 0.58
TSHR P16473 1/20 0.57
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GHSR Q92847 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 1/20 0.53
AKR1C3 P42330 3/20 0.53
AKR1C1 Q04828 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD11B1 P28845 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
SCHEMBL6181724 0.85 PKM (0.66) LMNAMCOLN3PKMTSHRALDH1A1
SCHEMBL7514953 0.81 L3MBTL1 (0.56) LMNAPKMTSHRALDH1A1AKR1C3
SCHEMBL6334854 0.81 L3MBTL1 (0.56) LMNAPKMTSHRALDH1A1AKR1C3
SCHEMBL6334856 0.81 L3MBTL1 (0.56) LMNAPKMTSHRALDH1A1AKR1C3
SCHEMBL9093847 0.80 MCOLN3 (0.64) LMNAMCOLN3PKMTSHRALDH1A1
SCHEMBL18134604 0.77 MCOLN3 (0.83) LMNAMCOLN3PKMTSHRSMN1; SMN2
SCHEMBL5404186 0.77 PKM (0.58) LMNAMCOLN3PKMTSHRALDH1A1
SCHEMBL17277386 0.76 AKR1C3 (0.58) PKMTSHRALDH1A1SMN1; SMN2HTT
SCHEMBL4184668 0.75 GPBAR1 (0.61) LMNAMCOLN3PKMTSHRALDH1A1
SCHEMBL1916848 0.75 AKR1C3 (0.60) MCOLN3PKMAKR1C3MEN1KMT2A

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 5 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
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP 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 LMNA 1420/4885MCOLN3 3908/4885PKM 10/4885

“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.