SCHEMBL4049574

SCHEMBL4049574

CCCNC(=O)c1ccc[c]c1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 3/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
NAAA Q02083 1/20 0.43
HCRTR1 O43613 1/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6318775 0.83 NPSR1 (0.45) L3MBTL1HPGDALDH1A1NPC1RAB9A
SCHEMBL28820113 0.78 GAA (0.56) POLBTDP1ALDH1A1GAAKMT2A
SCHEMBL4049576 0.78 L3MBTL1 (0.42) TSHRHTTL3MBTL1POLBTHRB
SCHEMBL13753123 0.77 NPC1 (0.66) TSHRHTTL3MBTL1POLBHPGD
SCHEMBL28467132 0.73 HTT (0.51) TSHRHTTL3MBTL1POLBHPGD
SCHEMBL3982704 0.72 TSHR (0.46) TSHRHTTL3MBTL1POLBHPGD
SCHEMBL8961335 0.72 GAA (0.33) HTTHPGDTDP1ALDH1A1GAA
SCHEMBL4281712 0.72 KMT2A (0.38) POLBTDP1ALDH1A1GAAKMT2A
SCHEMBL3982359 0.72 POLB (0.44) TSHRHTTL3MBTL1POLBHPGD
Formic Acid SCHEMBL6319995 0.72 NPC1 (0.59) TSHRHTTL3MBTL1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO claimed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
WO-2009106565-A1 AGONISTS OF GPR119 BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
EP-2059517-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS Biovitrum AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025800-A1 PYRIMIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103141-A1 New compounds GPR119, GPR3, GPR4 TSHR 528/4885HTT 2241/4885L3MBTL1 4778/4885
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 TSHR 488/4885HTT 2051/4885L3MBTL1 4793/4885

“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.