SCHEMBL5565002

SCHEMBL5565002

CC(=O)c1ccc(CCC(N)(CO)CO)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.64
TNNC1 P63316 6/20 0.60
S1PR3 Q99500 6/20 0.60
S1PR4 O95977 2/20 0.60
SGPL1 O95470 1/20 0.60
GPR183 P32249 1/20 0.60
CERS2 Q96G23 1/20 0.60
S1PR5 Q9H228 1/20 0.60
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.51
S1PR2 O95136 1/20 0.48
SPHK2 Q9NRA0 2/20 0.48
SPHK1 Q9NYA1 1/20 0.48
LMNA P02545 1/20 0.47
ENPP2 Q13822 1/20 0.47

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
SCHEMBL9969427 0.81 KMT2A (0.57) S1PR1KMT2AHSD17B10LMNA
SCHEMBL9891039 0.81 S1PR1 (0.69) S1PR1TNNC1S1PR3S1PR4SGPL1
SCHEMBL904106 0.81 S1PR1 (0.64) S1PR1TNNC1S1PR3S1PR4SGPL1
SCHEMBL17427769 0.81 S1PR1 (0.74) S1PR1TNNC1S1PR3S1PR4SGPL1
SCHEMBL9818052 0.80 KMT2A (0.73) KMT2AHSD17B10LMNA
SCHEMBL27904591 0.79 S1PR1 (0.57) S1PR1TNNC1S1PR3S1PR4SGPL1
SCHEMBL8498860 0.79 S1PR1 (0.61) S1PR1TNNC1S1PR3S1PR4SGPL1
SCHEMBL566742 0.78 S1PR1 (1.00) S1PR1TNNC1S1PR3S1PR4SGPL1
SCHEMBL4245358 0.78 MAPK1 (0.46) S1PR1TNNC1S1PR3S1PR4SGPL1
SCHEMBL77965 0.78 KMT2A (0.64) KMT2AHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE SHIVALIK RASAYAN LIMITED (IN) 2022-05-19 US disclosed
EP-1594508-B1 NOVEL BICYCLIC COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2012-08-08 EP disclosed
US-7256206-B2 1-[4-(3-Amino-4-hydroxy-3-hydroxymethyl-butyl)-phenyl]-ethanone-O-biphenyl-4-ylmethyl-oxime, used as modulators of lipid activated G-protein coupled receptors specific for sphingosine-1-phosphate; prevention of autoimmune diseases or as angiogenesis inhibitors IRM LLC (BM) 2007-08-14 US disclosed
US-20040248952-A1 Novel bicyclic compounds and compositions IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2004-12-09 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 (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-20220153684-A1 PROCESS FOR PREPARATION OF FINGOLIMOD HYDROCHLORIDE S1PR2, S1PR4, S1PR5 S1PR1 6/4885TNNC1 4567/4885S1PR3 4/4885
US-20040248952-A1 Novel bicyclic compounds and compositions S1PR1, S1PR3, S1PR5 S1PR1 1/4885TNNC1 3397/4885S1PR3 2/4885

“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.