SCHEMBL7651600

SCHEMBL7651600

CCCCNS(=O)(=O)c1cc2cc(P(=O)(O)O)c(=O)[nH]c2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6939707 0.94 POLB (0.36) CA12CA9ALDH1A1TP53TSHR
SCHEMBL7652392 0.87 CYP1A2 (0.37) CA12CA9CA1CA2CA3
SCHEMBL7651540 0.86 GAA (0.41) CYP2C19TSHRPOLBGAAMAPT
Bromide SCHEMBL6937193 0.85 GAA (0.40) CYP2C19TSHRPOLBGAAMAPT
SCHEMBL6939746 0.83 GRIN2D (0.37) ALDH1A1CYP1A2MEN1TSHRKMT2A
SCHEMBL7650675 0.82 ALDH1A1 (0.42) ALDH1A1POLBGAA
SCHEMBL7648730 0.82 GRIN2D (0.35) ALDH1A1CYP1A2MEN1TSHRKMT2A
SCHEMBL7652655 0.80 GSTO1 (0.37) ALDH1A1KDM4EGSTO1GRIN2DGRIN3B
SCHEMBL7648786 0.80 GRIN1 (0.35) ALDH1A1CYP3A4CYP2C19POLBKDM4E
SCHEMBL7647829 0.80 POLB (0.37) ALDH1A1TP53TSHRPOLBKDM4E

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 CA12 311/4885CA9 176/4885CA1 377/4885

“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.