SCHEMBL3983398

SCHEMBL3983398

CCCNC(=O)c1ccc(B(O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.49
POLB P06746 3/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
ESRRG P62508 1/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KCNA3 P22001 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL29955902 0.92 HTT (0.53) L3MBTL1HPGDTSHRHTTNPC1
SCHEMBL31320036 0.89 NAAA (0.51) L3MBTL1ALDH1A1HPGDTSHRHTT
SCHEMBL29953221 0.88 L3MBTL1 (0.49) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL29954265 0.88 LMNA (0.42) L3MBTL1HPGDESRRGKMT2ATMEM97
SCHEMBL14743123 0.87 MAP2K2 (0.47) POLBALDH1A1HPGDESRRGKMT2A
SCHEMBL13644472 0.87 MAOB (0.41) ESRRGKMT2ATSHRNPC1RAB9A
Hydrochloric Acid SCHEMBL23827734 0.85 PMP22 (0.42) L3MBTL1ESRRGKMT2ATSHRNPC1
Hydrochloric Acid SCHEMBL30152034 0.85 PMP22 (0.42) L3MBTL1ESRRGKMT2ATSHRNPC1
SCHEMBL13753140 0.81 L3MBTL1 (0.54) L3MBTL1POLBTHRBRECQLTDP1
SCHEMBL11909258 0.81 ESRRG (0.36) HPGDESRRGKMT2AMEN1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed
EP-2059516-A1 PYRIDINE 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-2008025798-A1 PYRIDINE 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 L3MBTL1 4778/4885POLB 4644/4885THRB 527/4885
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 L3MBTL1 4793/4885POLB 4633/4885THRB 428/4885

“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.