SCHEMBL5553604

SCHEMBL5553604

O=S(=O)(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=S(=O)(Cl)c1ccc(-c2ccccc2)cc1.O=S(=O)(Cl)c1cccc(-c2ccccc2)c1.O=S(=O)(Cl)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.44
ACLY P53396 4/20 0.41
RXRA P19793 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
LRRK2 Q5S007 1/20 0.40
PTPN1 P18031 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KIF11 P52732 1/20 0.38
TACR1 P25103 3/20 0.38
CKS1B P61024 1/20 0.38
SKP2 Q13309 1/20 0.38
PFKFB3 Q16875 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL5565766 0.85 KIF11 (0.48) PTGES2ACLYRXRAPTPN1CA12
SCHEMBL14120723 0.78 CA1 (0.45) PTGES2ACLYRXRANR1H3PTPN1
SCHEMBL9996829 0.78 KIF11 (0.54) PTGES2ACLYNR1H3PTPN1CA1
SCHEMBL14572631 0.77 KIF11 (0.47) PTGES2KIF11
SCHEMBL14120499 0.73 RXRA (0.51) RXRACA12CA1CA2CA9
SCHEMBL297270 0.73 ALDH1A1 (0.62) PTGES2LRRK2CA12CA1CA2
SCHEMBL7538033 0.72 KIF11 (0.47) PTGES2CA12CA1CA2CA9
SCHEMBL313390 0.71 ALDH1A1 (0.46) NR1H2ALDH1A1HSD17B10TDP1
SCHEMBL27691428 0.70 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL67827 0.70 CA1 (0.61) CA12CA1CA2CA9MEN1

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-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US disclosed
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-16 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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 PTGES2 516/4885ACLY 4820/4885RXRA 1978/4885
US-20040180892-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 PTGES2 516/4885ACLY 4820/4885RXRA 1978/4885

“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.