SCHEMBL4374409

SCHEMBL4374409

CC[C@@H](C)C[C@H](COS(=O)(=O)c1ccc(C)cc1)CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
STAT3 P40763 2/20 0.34
NR1D1 P20393 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
CA2 P00918 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
P2RX7 Q99572 2/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL3116664 1.00 KMT2A (0.35) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL3119201 1.00 KMT2A (0.35) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL3831947 1.00 KMT2A (0.35) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL3833448 0.91 CA12 (0.36) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL7213256 0.91 CA12 (0.36) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL3117255 0.91 CA12 (0.36) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL3116629 0.91 CA12 (0.36) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL3122917 0.89 PLA2G2C (0.34) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL3123597 0.89 PLA2G2C (0.36) KMT2AALDH1A1MEN1STAT3NR1D1
SCHEMBL3118259 0.89 PLA2G2C (0.36) KMT2AALDH1A1MEN1STAT3NR1D1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders PFIZER INC. 2009-08-13 US disclosed
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders PFIZER INC 2008-08-28 US disclosed
US-7381747-B2 Alpha 2 delta ligands for post-traumatic stress disorder WARNER-LAMBERT COMPANY LLC (US) 2008-06-03 US disclosed
EP-1840117-A1 Mono- and disubstituted 3-propyl gamma-aminobutyric acids Warner-Lambert Company LLC (US) 2007-10-03 EP disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS PFIZER INC 2007-02-01 US disclosed
US-7164034-B2 Alpha2delta ligands for fibromyalgia and other disorders PFIZER INC. (US) 2007-01-16 US disclosed
US-7138542-B2 Method of treating tinnitus WARNER LAMBERT COMPANY (US) 2006-11-21 US disclosed
US-20060100281-A1 Method of treating tinnitus DOOLEY DAVID J 2006-05-11 US disclosed
US-7026505-B2 Method of treating tinnitus WARNER-LAMBERT COMPANY (US) 2006-04-11 US disclosed
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2004-04-01 US disclosed
US-6642398-B2 Improving drug qualities such as bioavailability and stability WARNER-LAMBERT COMPANY 2003-11-04 US disclosed
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids BELLIOTTI THOMAS RICHARD (US) 2003-09-25 US disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US disclosed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 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 (8 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-20090203782-A1 Alpha 2 Delta Ligands for Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 KMT2A 1327/4885ALDH1A1 775/4885MEN1 3773/4885
US-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D KMT2A 823/4885ALDH1A1 137/4885MEN1 466/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 KMT2A 3421/4885ALDH1A1 30/4885MEN1 2904/4885
US-20060100281-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRB2 KMT2A 706/4885ALDH1A1 222/4885MEN1 471/4885
US-20070027212-A1 ALPHA 2 DELTA LIGANDS FOR FIBROMYALGIA AND OTHER DISORDERS OPRD1, HCRTR2, OPRL1 KMT2A 1829/4885ALDH1A1 1174/4885MEN1 2269/4885
US-20080207755-A1 Alpha 2 Delta Ligands For Fibromyalgia and Other Disorders OPRD1, OPRL1, FFAR3 KMT2A 1327/4885ALDH1A1 775/4885MEN1 3773/4885
US-20040063789-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 KMT2A 1992/4885ALDH1A1 311/4885MEN1 1447/4885
US-20030181523-A1 Mono-and disubstituted 3-propyl gamma-aminobutyric acids GABRB1, GABRA1, GABRB3 KMT2A 1992/4885ALDH1A1 311/4885MEN1 1447/4885

“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.