SCHEMBL7017828

SCHEMBL7017828

O=S(=O)(CCCN1CCCNCC1)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.46
LOX P28300 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
ABL1 P00519 1/20 0.41
CXCR4 P61073 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7014699 0.88 F10 (0.48) F10LOXABL1MAPTNPSR1
SCHEMBL3901556 0.79 F10 (0.43) F10MAPT
SCHEMBL3899037 0.74 F10 (0.67) F10F2KLKB1
Hydrochloric Acid SCHEMBL6195901 0.73 PKM (0.64) F10CYP1A2CYP2D6MAPT
SCHEMBL6404128 0.73 HTT (0.56) MAPT
SCHEMBL7013341 0.72 ADRA1A (0.40) F10
SCHEMBL14501826 0.72 LOX (0.51) LOXSIGMAR1MAPTNPSR1
SCHEMBL14538078 0.72 ALDH1A1 (0.57) LOXSIGMAR1CXCR4
SCHEMBL7013415 0.72 F10 (0.66) F10
SCHEMBL7018080 0.72 F10 (0.45) F10

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-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH F10 717/4885LOX 1931/4885CYP1A2 908/4885

“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.