SCHEMBL14015367

SCHEMBL14015367

O=S(=O)(O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
EPHX2 P34913 5/20 0.33
CA2 P00918 2/20 0.33
EPHX1 P07099 1/20 0.33
STS P08842 1/20 0.32
CYP19A1 P11511 1/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT6 P42226 1/20 0.31
GRIN1 Q05586 1/20 0.31

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
Trimethylammonium SCHEMBL28045279 0.90 NPSR1 (0.38) NPSR1GAACA2CA12CA9
SCHEMBL17402208 0.82 TSHR (0.46) NPSR1EPHX2TSHR
SCHEMBL13608630 0.76 NPSR1 (0.45) NPSR1GAACA2CA12CA9
SCHEMBL18663525 0.76 NPSR1 (0.40) NPSR1GAACA2STSCA12
SCHEMBL17792433 0.76
SCHEMBL14802955 0.74 NPSR1 (0.32) NPSR1GAAEPHX2
SCHEMBL27338834 0.73 NPSR1 (0.42) NPSR1GAACA2CA12CA9
SCHEMBL17036829 0.73 NPSR1 (0.38) NPSR1GAACA2EPHX1CA12
SCHEMBL14431495 0.71
SCHEMBL16857421 0.71 NPSR1 (0.41) NPSR1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151503-A1 COMPOSITIONS AND PREPARATION METHODS OF LOW MELTING IONIC SALTS OF POORLY-WATER SOLUBLE DRUGS MW ENCAP LIMITED (GB) 2016-06-02 US disclosed
US-20160151503-A1 COMPOSITIONS AND PREPARATION METHODS OF LOW MELTING IONIC SALTS OF POORLY-WATER SOLUBLE DRUGS MW ENCAP LIMITED (GB) 2016-06-02 US disclosed
US-20160151503-A1 COMPOSITIONS AND PREPARATION METHODS OF LOW MELTING IONIC SALTS OF POORLY-WATER SOLUBLE DRUGS MW ENCAP LIMITED (GB) 2016-06-02 US disclosed
US-7442485-B2 Lithographic process involving on press development FUJIFILM CORPORATION (JP) 2008-10-28 US disclosed
EP-1484177-B1 Lithographic process involving on press development FUJIFILM CORP (JP) 2007-08-29 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-20160151503-A1 COMPOSITIONS AND PREPARATION METHODS OF LOW MELTING IONIC SALTS OF POORLY-WATER SOLUBLE DRUGS ABCG2, SLC7A1, ABCB11 NPSR1 2428/4885GAA 836/4885EPHX2 2608/4885

“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.