SCHEMBL2209533

SCHEMBL2209533

CC(C)(C)OC(=O)Cc1ccc(C#N)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.37
GPR119 Q8TDV5 1/20 0.36
GRM5 P41594 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
NR1D1 P20393 5/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL4951322 0.80 GPR119 (0.33) ABCB1GPR119GRM5ALDH1A1GLA
SCHEMBL588780 0.78 KDM4A (0.43)
SCHEMBL31298183 0.78 HDAC1 (0.47) ABCB1GPR119ALDH1A1
Hydrochloric Acid SCHEMBL589320 0.77 KDM4A (0.42)
SCHEMBL4951522 0.77 NR1D1 (0.35) GPR119GRM5NR1D1PDK1PDK2
SCHEMBL5869066 0.77 STING1 (0.38) ABCB1GPR119ALDH1A1GLA
SCHEMBL31298142 0.76 L3MBTL1 (0.43) MTNR1AMTNR1BNR1D1CCNB2CCNE2
SCHEMBL13269488 0.75 TP53 (0.43) ALDH1A1MTNR1AMTNR1BNR1D1
SCHEMBL19770173 0.74 MTNR1A (0.35) MTNR1AMTNR1BNR1D1CCNB2CCNE2
SCHEMBL4951324 0.73 GPR119 (0.36) ABCB1GPR119ALDH1A1GLA

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
EP-1808440-B1 Non-covalent inhibitors of urokinase and blood vessel formation WILEX AG (DE) 2011-07-27 EP disclosed
EP-1808440-A1 Non-covalent inhibitors of urokinase and blood vessel formation Wilex AG (DE) 2007-07-18 EP disclosed
EP-1182207-B1 Non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORP (US) 2007-04-18 EP disclosed
US-6586405-B2 Therapy for blood disorders CORVAS INTERNATIONAL, INC. 2003-07-01 US disclosed
US-6541467-B1 And at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. CORVAS INTERNATIONAL, INC. 2003-04-01 US disclosed
US-20020037857-A1 Non-covalent inhibitors of urokinase and blood vessel formation CORVAS INTERNATIONAL, INC. 2002-03-28 US disclosed
EP-1182207-A2 Non-covalent inhibitors of urokinase and blood vessel formation CORVAS INTERNATIONAL, INC. (US) 2002-02-27 EP disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed
WO-2001079261-A1 TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 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-20020037857-A1 Non-covalent inhibitors of urokinase and blood vessel formation PLAU, PLAT, PLG ABCB1 4746/4885GPR119 1992/4885GRM5 3645/4885

“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.