SCHEMBL2271998

SCHEMBL2271998

O=C(NCC(F)(F)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TGM2 P21980 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PLAU P00749 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL8149899 0.87 LMNA (0.59) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL2646571 0.87 MEN1 (0.61) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL15677565 0.84 SMN1; SMN2 (0.56) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL24012570 0.83 LMNA (0.55) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL29282070 0.82 LMNA (0.51) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL10263314 0.82 SMN1; SMN2 (0.54) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL291124 0.81 SMN1; SMN2 (0.56) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL13741500 0.81 SMN1; SMN2 (0.59) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL31207761 0.81 LMNA (0.59) LMNASMN1; SMN2HTTTGM2CA12
SCHEMBL4139480 0.81 SMN1; SMN2 (0.52) LMNASMN1; SMN2HTTMEN1KMT2A

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
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20050059611-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2005-03-17 US disclosed
US-6821960-B2 Glucagon antagonists/inverse agonists NOYO NORDISK PHARMACEUTICALS, INC. 2004-11-23 US disclosed
EP-1345891-A1 GLUCAGON ANTAGONIST/INVERSE AGONIST Novo Nordisk A/S (DK) 2003-09-24 EP disclosed
US-20030027849-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-02-06 US disclosed
WO-2002040446-A1 GLUCAGON ANTAGONIST/INVERSE AGONIST NOVO NORDISK A/S (DK) 2002-05-23 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 (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-20050059611-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR LMNA 3715/4885SMN1; SMN2 3689/4885HTT 1879/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 LMNA 1043/4885SMN1; SMN2 4086/4885HTT 2128/4885
US-20030027849-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR LMNA 3715/4885SMN1; SMN2 3689/4885HTT 1879/4885

“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.