SCHEMBL6790392

SCHEMBL6790392

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.65
MGLL Q99685 1/20 0.62
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 3/20 0.61
LMNA P02545 3/20 0.61
ATM Q13315 1/20 0.59
HTT P42858 2/20 0.56
F13A1 P00488 1/20 0.56
TGM2 P21980 1/20 0.56
TGM1 P22735 1/20 0.56

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
SCHEMBL6787216 0.91 KMT2A (0.65) PKMMGLLKMT2AMEN1RAB9A
SCHEMBL12341269 0.89 ALDH1A1 (0.72) PKMMGLLKMT2AMEN1RAB9A
SCHEMBL5202414 0.88 STS (0.57) F13A1TGM2TGM1
SCHEMBL5736659 0.88 F10 (0.57) PKMF13A1TGM2TGM1
SCHEMBL567503 0.85 ATM (0.54) PKMMGLLSMN1; SMN2ALDH1A1GAA
SCHEMBL2252120 0.84 TGM2 (0.63) KMT2AALDH1A1GAALMNAF13A1
SCHEMBL18702168 0.84 PKM (0.69) PKMKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL3210642 0.82 TGM2 (0.59) KMT2AMEN1RAB9ASMN1; SMN2F13A1
SCHEMBL4892640 0.82 TGM2 (0.53) PKMLMNAHTTF13A1TGM2
SCHEMBL5633204 0.82 TGM2 (0.53) RAB9ASMN1; SMN2LMNAATMF13A1

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 11 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
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO disclosed
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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 (2 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 PKM 4658/4885MGLL 3469/4885KMT2A 1699/4885
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 PKM 10/4885MGLL 1626/4885KMT2A 880/4885

“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.