SCHEMBL4596441

SCHEMBL4596441

O=C(O)CSCc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
FBP1 P09467 1/20 0.40
TTR P02766 2/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MITF O75030 1/20 0.38
HPGD P15428 1/20 0.38
MC4R P32245 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 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
SCHEMBL4596562 0.80 HDAC2 (0.47) L3MBTL1ALDH1A1HPGDSTK17BPSEN1
SCHEMBL4596863 0.79 TTR (0.43) ALDH1A1MEN1KMT2ACYP3A4TTR
SCHEMBL4596633 0.79 MGLL (0.41) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL4596621 0.79 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL10928323 0.77 MEN1 (0.66) ALDH1A1MEN1KMT2APOLBTTR
SCHEMBL4596164 0.77 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBCYP3A4
SCHEMBL4596487 0.77 TDP1 (0.41) ALDH1A1MEN1KMT2ACYP3A4TTR
SCHEMBL5095184 0.76 KMT2A (0.47) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL29500840 0.75 CYP1A2 (0.51) ALDH1A1MEN1KMT2ACYP1A2POLB
SCHEMBL4897531 0.74 TTR (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP3A4

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 L3MBTL1 4571/4885ALDH1A1 2274/4885MEN1 1507/4885

“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.