SCHEMBL18904548

SCHEMBL18904548

CCCCCCc1ccc(CCC(N)(CO)CO)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 1.00
S1PR3 Q99500 9/20 1.00
S1PR4 O95977 7/20 1.00
TNNC1 P63316 6/20 1.00
S1PR5 Q9H228 5/20 1.00
SGPL1 O95470 1/20 1.00
GPR183 P32249 1/20 1.00
CERS2 Q96G23 1/20 1.00
SPHK2 Q9NRA0 3/20 0.78
SPHK1 Q9NYA1 1/20 0.78
S1PR2 O95136 5/20 0.74
ENPP2 Q13822 1/20 0.70

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
SCHEMBL3391728 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL1372656 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3394554 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3389578 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3394797 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3390328 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3392313 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
Fingolimod SCHEMBL7445 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
SCHEMBL3393539 1.00 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5
Hydrochloric Acid SCHEMBL8500527 0.98 S1PR1 (1.00) S1PR1S1PR3S1PR4TNNC1S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118845641-A Fengomod oral liquid composition and application thereof 苏州华健瑞达医药技术有限公司 2024-10-29 CN disclosed
US-20170151195-A1 Compositions Comprising Sphingosine 1 Phosphate (S1P) Receptor Modulators NOVARTIS AG (CH) 2017-06-01 US disclosed
US-20170151195-A1 Compositions Comprising Sphingosine 1 Phosphate (S1P) Receptor Modulators NOVARTIS AG (CH) 2017-06-01 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-20170151195-A1 Compositions Comprising Sphingosine 1 Phosphate (S1P) Receptor Modulators S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR3 4/4885S1PR4 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.