SCHEMBL10131902

SCHEMBL10131902

Cc1ccc(S(=O)(=O)N2CCN(C(C)(C)C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.69
HTT P42858 3/20 0.69
ALDH1A1 P00352 2/20 0.69
POLB P06746 1/20 0.69
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
LMNA P02545 2/20 0.61
HSD11B1 P28845 1/20 0.60
TSHR P16473 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL3303527 0.87 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL8200466 0.87 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL3971438 0.87 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL699639 0.87 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL8203532 0.87 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL565301 0.87 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL10724066 0.87 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL4537086 0.87 PKM (0.88) PKMHTTALDH1A1POLBKMT2A
SCHEMBL681675 0.84 POLB (0.66) PKMALDH1A1POLBKMT2AMEN1
SCHEMBL10131910 0.82 PKM (0.78) PKMHTTALDH1A1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9404081-B2 Pyruvate kinase activators for use in therapy AGIOS PHARMACEUTICALS, INC. (US) 2016-08-02 US disclosed
US-9199968-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20150183760-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC (US) 2015-07-02 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-8889667-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC (US) 2014-11-18 US disclosed
US-20140155408-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC (US) 2014-06-05 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 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 (3 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-20150183760-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 PKM 6/4885HTT 3951/4885ALDH1A1 1326/4885
US-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 PKM 1829/4885HTT 2475/4885ALDH1A1 295/4885
US-20140155408-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 PKM 9/4885HTT 4310/4885ALDH1A1 1517/4885

“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.