SCHEMBL3906129

SCHEMBL3906129

FC(F)(F)c1cc(CCl)ccc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.42
S1PR3 Q99500 12/20 0.42
S1PR4 O95977 3/20 0.39
S1PR5 Q9H228 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL30066159 0.98 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL932498 0.98 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL3897505 0.95 NOTUM (0.40) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL31435310 0.95 NOTUM (0.40) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL3901815 0.92 NOTUM (0.44) S1PR1S1PR3S1PR4S1PR5NOTUM
SCHEMBL2231906 0.86 NOTUM (0.40) S1PR1S1PR3NOTUM
SCHEMBL2235318 0.85 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL3846473 0.84 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL22504242 0.84 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5ADORA3
SCHEMBL20863953 0.84 S1PR1 (0.42) S1PR1S1PR3S1PR4S1PR5ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116730797-A Preparation method of substituted benzene compound 广东东阳光药业股份有限公司 2023-09-12 CN disclosed
CN-116730797-A Preparation method of substituted benzene compound 广东东阳光药业股份有限公司 2023-09-12 CN disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
US-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF CIPLA LIMITED (IN) 2023-07-06 US disclosed
WO-2021240547-A2 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORMS THEREOF CIPLA LIMITED (IN) 2021-12-02 WO disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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 (2 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-20230212115-A1 METHODS FOR THE PREPARATION OF SPHINGOSINE 1-PHOSPHATE RECEPTOR MODULATORS AND SOLID FORME THEREOF S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885S1PR4 4/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 S1PR1 3/4885S1PR3 1/4885S1PR4 6/4885

“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.