SCHEMBL7651833

SCHEMBL7651833

CCCN(CCC)S(=O)(=O)c1cc2cc(P(=O)(O)O)c(=O)[nH]c2cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AR P10275 3/20 0.33
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL7647679 0.87 KDM4E (0.33) KDM4EUSP2TSHRALDH1A1NPSR1
SCHEMBL7647232 0.86 KDM4E (0.31) KDM4EUSP2TSHRALDH1A1NPSR1
SCHEMBL7652678 0.84 KDM4E (0.38) KDM4EUSP2TSHRALDH1A1NPSR1
SCHEMBL7647528 0.81 KDM4E (0.34) KDM4EALDH1A1ARCNR2CNR1
SCHEMBL6927437 0.80 CA1 (0.41) KDM4EALDH1A1SMN1; SMN2CYP2C9EGLN1
SCHEMBL7652393 0.79 TAS2R14 (0.34) EGLN1
SCHEMBL6935736 0.77 CNR2 (0.37) KDM4EUSP2TSHRALDH1A1NPSR1
SCHEMBL7650389 0.74 KDM4E (0.39) KDM4ETSHRALDH1A1CNR2CYP3A4
SCHEMBL7650712 0.71 CA9 (0.45) KDM4EALDH1A1SMN1; SMN2
SCHEMBL7651838 0.71 CNR2 (0.36) TSHRNPSR1CNR2CNR1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486143-B2 NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-20010031746-A1 6-amino- or 6-hydrazino-sulphonyl-3-quinolynyl-phosphonic acid compounds LES LABORATOIRES SERVIER (FR) 2001-10-18 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-20010031746-A1 6-amino- or 6-hydrazino-sulphonyl-3-quinolynyl-phosphonic acid compounds CA6, P2RY6, FPR3 KDM4E 4419/4885USP2 3788/4885TSHR 2947/4885

“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.