SCHEMBL21940429

SCHEMBL21940429

COC(=O)c1cc(N)c(Sc2ccccc2C(=O)O)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CFTR P13569 6/20 0.44
HSD17B10 Q99714 3/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
POLB P06746 1/20 0.38
LDHA P00338 1/20 0.38

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
SCHEMBL18641497 0.94 CFTR (0.47) ALDH1A1KDM4ETDP1CFTRHSD17B10
SCHEMBL18667366 0.89 KDM4E (0.58) ALDH1A1KDM4ETDP1CFTRHSD17B10
SCHEMBL21250314 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1CFTRHSD17B10
SCHEMBL18381546 0.81 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1CFTRHSD17B10
SCHEMBL17080264 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1CFTRHSD17B10
SCHEMBL17080113 0.76 KDM4E (0.58) ALDH1A1KDM4ETDP1HSD17B10LMNA
SCHEMBL17080245 0.76 ALDH1A1 (0.51) ALDH1A1KDM4ETDP1CFTRHSD17B10
SCHEMBL18641484 0.76 MAPT (0.49) ALDH1A1HSD17B10LMNAMAPTHTT
SCHEMBL17080217 0.75 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1CFTRHSD17B10
SCHEMBL22453008 0.75 CFTR (0.67) ALDH1A1KDM4ECFTRHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 US disclosed
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-04-30 US 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 (5 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-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885KDM4E 2170/4885TDP1 4337/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885KDM4E 2170/4885TDP1 4337/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885KDM4E 2170/4885TDP1 4337/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885KDM4E 2170/4885TDP1 4337/4885
US-20200131168-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885KDM4E 2170/4885TDP1 4337/4885

“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.