SCHEMBL7652686

SCHEMBL7652686

CCCN(CCC)S(=O)(=O)c1cc2c[c]c(=O)n(P(=O)(O)O)c2cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
VCAM1 P19320 2/20 0.33
CA12 O43570 4/20 0.32
CA9 Q16790 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 4/20 0.31
CA1 P00915 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7652258 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL7650719 0.85 CA9 (0.44) ALDH1A1CA12CA9SMN1; SMN2KMT2A
SCHEMBL7651838 0.84 CNR2 (0.36) NPSR1MAPTTSHR
SCHEMBL6935413 0.83 CA9 (0.43) ALDH1A1CA12CA9SMN1; SMN2KMT2A
SCHEMBL6939713 0.81 POLB (0.36) ALDH1A1NPSR1L3MBTL1CA12CA9
SCHEMBL7652709 0.81 KDM4E (0.36) ALDH1A1VCAM1KMT2AMEN1GAA
SCHEMBL7651605 0.80 CYP1A2 (0.36) ALDH1A1CA12CA9SMN1; SMN2KMT2A
SCHEMBL7651550 0.79 GAA (0.40) ALDH1A1NPSR1KMT2AMEN1GAA
Bromide SCHEMBL6937197 0.78 GAA (0.39) ALDH1A1NPSR1KMT2AMEN1GAA
SCHEMBL7648733 0.78 BRPF1 (0.30)

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 1221/4885NPSR1 662/4885L3MBTL1 4403/4885

“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.