SCHEMBL16796804

SCHEMBL16796804

N[C@H](CC(=O)O)c1ccccc1OC(F)F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
NR1I2 O75469 1/20 0.40
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL28080119 0.82 MEN1 (0.43) L3MBTL1NR1I2KMT2ASMN1; SMN2MEN1
SCHEMBL3385975 0.82 POLB (0.55) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL12463681 0.82 POLB (0.55) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL31364568 0.82 POLB (0.55) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL5720914 0.82 POLB (0.55) L3MBTL1KMT2ASMN1; SMN2HTTPOLB
SCHEMBL18159772 0.80 DRD1 (0.38) L3MBTL1NR1I2KMT2ASMN1; SMN2PDE4A
SCHEMBL16796899 0.79 SMN1; SMN2 (0.44) L3MBTL1NR1I2KMT2ASMN1; SMN2PDE4A
Hydrochloric Acid SCHEMBL16796933 0.79 DRD1 (0.37) L3MBTL1NR1I2KMT2ASMN1; SMN2PDE4A
Hydrochloric Acid SCHEMBL18151677 0.79 DRD1 (0.37) L3MBTL1NR1I2KMT2ASMN1; SMN2PDE4A
SCHEMBL28831706 0.79 L3MBTL1 (0.43) L3MBTL1NR1I2KMT2ASMN1; SMN2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
EP-3080121-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
WO-2015086525-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 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-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 L3MBTL1 1309/4885NR1I2 536/4885KMT2A 2545/4885

“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.