SCHEMBL5434375

SCHEMBL5434375

Cc1ccccc1S(=O)(=O)c1ccc(C(F)(F)F)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.50
HSD11B1 P28845 2/20 0.49
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.44
SLC40A1 Q9NP59 4/20 0.44
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY1R P25929 1/20 0.39
CFTR P13569 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL3941612 0.81 MCL1 (0.50) MCL1HSD11B1ALDH1A1LMNAMEN1
SCHEMBL4616939 0.80 HTR6 (0.56) HSD11B1KDM4EALDH1A1GAASLC40A1
SCHEMBL5261185 0.78 BCHE (0.47) MCL1HSD11B1KDM4EALDH1A1GAA
SCHEMBL6916212 0.77 GAA (0.75) HSD11B1KDM4EALDH1A1GAAPOLB
SCHEMBL7613480 0.77 KDM4E (0.49) MCL1HSD11B1KDM4EALDH1A1GAA
SCHEMBL19019674 0.76 ALDH1A1 (0.51) KDM4EALDH1A1GAASLC40A1LMNA
SCHEMBL27858879 0.75 ABCC9 (0.54) MCL1HSD11B1KDM4EALDH1A1POLB
SCHEMBL8318015 0.75 MCL1 (0.46) MCL1HSD11B1ALDH1A1POLBLMNA
SCHEMBL30137559 0.74 CA1 (0.55) KDM4EALDH1A1GAASLC40A1LMNA
SCHEMBL6684584 0.74 CA1 (0.55) KDM4EALDH1A1GAASLC40A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 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 (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-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 MCL1 3100/4885HSD11B1 4682/4885KDM4E 615/4885

“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.