SCHEMBL4355418

SCHEMBL4355418

CS(=O)(=O)N(OC(=O)C(F)(F)F)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.38
SLC6A4 P31645 19/20 0.38
SLC6A3 Q01959 3/20 0.38
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.32
TSHR P16473 1/20 0.32
GABRG2 P18507 1/20 0.32
NFKB1 P19838 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA6 Q16445 1/20 0.32

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
SCHEMBL26186797 0.76
SCHEMBL28147671 0.75 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL26599567 0.73 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3LMNACYP3A4
SCHEMBL26186836 0.73
SCHEMBL26186760 0.72
SCHEMBL23778380 0.71 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3
SCHEMBL28968996 0.70 CES1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5037882 0.69 MEN1 (0.40) SLC6A2SLC6A4SLC6A3GABRA1GABRA5
SCHEMBL27074736 0.68 SLC6A2 (0.32) SLC6A2SLC6A4
SCHEMBL3006964 0.67 KDM4E (0.38) SLC6A2SLC6A4SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454547-B2 Steroidal compositions and methods of treating lipogenic cancers Asteroid Therapeutics (US) 2025-10-28 US disclosed
WO-2023205801-A2 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics (US) 2023-10-26 WO disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-7615634-B2 4-aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-10 US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 US disclosed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 US disclosed
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 US disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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 (4 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-12454547-B2 Steroidal compositions and methods of treating lipogenic cancers SREBF1, SREBF2, NR1H3 SLC6A2 4863/4885SLC6A4 4859/4885SLC6A3 4883/4885
US-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 SLC6A2 4854/4885SLC6A4 3790/4885SLC6A3 4694/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 SLC6A2 4863/4885SLC6A4 4859/4885SLC6A3 4883/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 SLC6A2 4627/4885SLC6A4 3083/4885SLC6A3 4278/4885

“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.