SCHEMBL7651560

SCHEMBL7651560

CCCN(CCC)S(=O)(=O)c1cc2cc(P(=O)(OCC)OCC)c(=O)[nH]c2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GRIN1 Q05586 6/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
VCAM1 P19320 1/20 0.32

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
SCHEMBL7650412 0.88 TSHR (0.37) ALDH1A1KDM4EHSD17B10HPGDCYP3A4
SCHEMBL7652678 0.86 KDM4E (0.38) ALDH1A1KDM4EHSD17B10HPGDCYP3A4
SCHEMBL7647679 0.85 KDM4E (0.33) ALDH1A1KDM4EHSD17B10USP2TSHR
SCHEMBL6926207 0.85 GRIN1 (0.38) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL7653443 0.84 CA9 (0.42) ALDH1A1KDM4E
SCHEMBL6926873 0.84 USP2 (0.38) HSD17B10USP2GRIN1GRIN2DGRIN3B
SCHEMBL7649007 0.82 KDM4E (0.43) ALDH1A1KDM4E
SCHEMBL7647190 0.82 GRIN1 (0.35) ALDH1A1KDM4EHSD17B10HPGDGRIN1
SCHEMBL7647829 0.81 POLB (0.37) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL7647652 0.81 KDM4E (0.38) ALDH1A1KDM4EHSD17B10HPGDGRIN1

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 ALDH1A1 1221/4885KDM4E 4419/4885HSD17B10 3665/4885

“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.