SCHEMBL7647232

SCHEMBL7647232

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL7199614 0.86 EGLN1 (0.30)
SCHEMBL7198556 0.86 CA12 (0.33)
SCHEMBL7651833 0.86 KDM4E (0.35) KDM4EUSP2TSHRALDH1A1NPSR1
SCHEMBL7648901 0.85 GRIN1 (0.31)
SCHEMBL7648889 0.84 GRIN1 (0.32) CNR2
SCHEMBL7648086 0.82 KDM4E (0.34) KDM4ETSHRALDH1A1NPSR1CNR2
SCHEMBL7647679 0.82 KDM4E (0.33) KDM4EUSP2TSHRALDH1A1NPSR1
SCHEMBL7198441 0.80 AR (0.36)
SCHEMBL7068989 0.77 AR (0.41)
SCHEMBL7735090 0.76 NTRK1 (0.36) KDM4E

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.