SCHEMBL4596562

SCHEMBL4596562

Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1CSCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
STK17B O94768 1/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
DHODH Q02127 1/20 0.40
KIF11 P52732 5/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARD Q03181 3/20 0.39
MAP4K4 O95819 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
SCHEMBL4596441 0.80 L3MBTL1 (0.42) L3MBTL1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL3901609 0.75 KIF11 (0.50) HDAC2PSEN1PSEN2APH1BNCSTN
SCHEMBL3896342 0.74 KIF11 (0.52) HDAC2KIF11
SCHEMBL8331843 0.74 L3MBTL1 (0.58) L3MBTL1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL3996899 0.71 KDM4E (0.70) HDAC2ALDH1A1RXRARXRBRXRG
SCHEMBL7669263 0.70 ALDH1A1 (0.44) HDAC2L3MBTL1ALDH1A1RXRARXRB
SCHEMBL7667623 0.69 EPHX1 (0.49) L3MBTL1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL7382472 0.69 EPHX1 (0.49) L3MBTL1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL7382474 0.69 EPHX1 (0.49) L3MBTL1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL10556939 0.69 CYP1A2 (0.60) L3MBTL1ALDH1A1KDM4EHPGD

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
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 HDAC2 1216/4885L3MBTL1 4571/4885ALDH1A1 2274/4885

“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.