SCHEMBL16797013

SCHEMBL16797013

O=C1CS[C@@H](c2ccccc2OC(F)F)N1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
NR1I2 O75469 1/20 0.40
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA1A P35348 1/20 0.37
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
DRD1 P21728 1/20 0.35
PKM P14618 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL16796853 1.00 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL16796856 1.00 L3MBTL1 (0.68) L3MBTL1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL10676844 0.81 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL10668061 0.77 L3MBTL1 (0.72) L3MBTL1SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL16796852 0.72 ATM (0.47) ALDH1A1KDM4EGAANR1I2TSHR
SCHEMBL16796850 0.72 ATM (0.47) ALDH1A1KDM4EGAANR1I2TSHR
SCHEMBL16796941 0.72 ATM (0.47) ALDH1A1KDM4EGAANR1I2TSHR
SCHEMBL6827823 0.72 SMN1; SMN2 (1.00) L3MBTL1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL28140469 0.72 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL17926939 0.72 SMN1; SMN2 (0.60) L3MBTL1SMN1; SMN2GAAGFERTSHR

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 1309/4885SMN1; SMN2 764/4885ALDH1A1 205/4885

“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.