SCHEMBL20740319

SCHEMBL20740319

CCCCCCCCc1ccc(CC[C@](N)(CO)CP(=O)(O)O)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.79
S1PR3 Q99500 10/20 0.79
S1PR4 O95977 7/20 0.79
S1PR2 O95136 5/20 0.79
ENPP2 Q13822 2/20 0.77
TNNC1 P63316 5/20 0.74
S1PR5 Q9H228 5/20 0.74
SGPL1 O95470 1/20 0.74
GPR183 P32249 1/20 0.74
CERS2 Q96G23 1/20 0.74
SPHK2 Q9NRA0 3/20 0.64
SPHK1 Q9NYA1 1/20 0.64

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
SCHEMBL15868568 1.00 S1PR1 (0.79) S1PR1S1PR3S1PR4S1PR2ENPP2
Fingolimod SCHEMBL15515724 0.90 S1PR1 (0.85) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL14801617 0.88 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL6130113 0.88 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL17083799 0.88 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL29518569 0.87 ENPP2 (1.00) S1PR1S1PR3S1PR4S1PR2ENPP2
Phosphoric Acid SCHEMBL6507536 0.86 S1PR1 (0.78) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL3390328 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL3392313 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR2ENPP2
Fingolimod SCHEMBL7445 0.85 S1PR1 (1.00) S1PR1S1PR3S1PR4S1PR2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11850234-B2 Enhancement of cancer treatment efficiency via the sphingosine-1-phosphate pathway AC BIOSCIENCE (CH) 2023-12-26 US disclosed
US-20200261420-A1 ENHANCEMENT OF CANCER TREATMENT EFFICIENCY VIA THE SPHINGOSINE-1-PHOSPHATE PATHWAY AC BIOSCIENCE (CH) 2020-08-20 US disclosed
CN-111432815-A Enhancing cancer treatment efficacy via sphingosine-1-phosphate pathway AC生物科学公司 2020-07-17 CN disclosed
EP-3668506-A1 ENHANCEMENT OF CANCER TREATMENT EFFICIENCY VIA THE SPHINGOSINE-1-PHOSPHATE PATHWAY AC BioScience (CH) 2020-06-24 EP disclosed
WO-2019034768-A1 ENHANCEMENT OF CANCER TREATMENT EFFICIENCY VIA THE SPHINGOSINE-1-PHOSPHATE PATHWAY AC BIOSCIENCE (CH) 2019-02-21 WO disclosed
EP-3443986-A1 ENHANCEMENT OF CHEMOTHERAPY EFFICIENCY BY SPHINGOSINE-1-PHOSPHATE AC BioScience (CH) 2019-02-20 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-11850234-B2 Enhancement of cancer treatment efficiency via the sphingosine-1-phosphate pathway SPHK1, S1PR1, S1PR2 S1PR1 2/4885S1PR3 6/4885S1PR4 5/4885
US-20200261420-A1 ENHANCEMENT OF CANCER TREATMENT EFFICIENCY VIA THE SPHINGOSINE-1-PHOSPHATE PATHWAY SPHK1, S1PR1, S1PR2 S1PR1 2/4885S1PR3 6/4885S1PR4 5/4885

“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.