SCHEMBL23366306

SCHEMBL23366306

O=C(CNC(=O)C(F)(F)F)CNC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CA3 P07451 2/20 0.48
CA5A P35218 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA2 P00918 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
EPHX1 P07099 1/20 0.45
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
PGK1 P00558 2/20 0.31

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
SCHEMBL8880042 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10099602 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1460181 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL865926 0.80
SCHEMBL130951 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7771621 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3869183 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL22092385 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL9138159 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL21814803 0.77 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612300-B Process for preparing hepatitis B core protein modulators 组装生物科学股份有限公司 2023-10-20 CN disclosed
US-11040965-B2 Process for making Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-06-22 US disclosed
US-11008315-B2 2021-05-18 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 (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-11040965-B2 Process for making Hepatitis B core protein modulators HAVCR2, MAVS, HMBS ALDH1A1 4456/4885SMN1; SMN2 4645/4885POLB 1661/4885
US-11008315-B2 HAVCR2, MAVS, HCCS ALDH1A1 3973/4885SMN1; SMN2 3716/4885POLB 1980/4885

“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.