SCHEMBL17449236

SCHEMBL17449236

CCCCCCCCCCCCCCCCN(C)CCCP(=O)(OCC)OCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.61
S1PR1 P21453 1/20 0.61
S1PR3 Q99500 1/20 0.61
S1PR5 Q9H228 1/20 0.61
GGPS1 O95749 4/20 0.47
FDPS P14324 1/20 0.47
AGTR1 P30556 1/20 0.47
OPRM1 P35372 1/20 0.47
PDE3A Q14432 1/20 0.47
PPARD Q03181 1/20 0.42
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
PHF8 Q9UPP1 1/20 0.41

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
SCHEMBL17449234 1.00 S1PR2 (0.61) S1PR2S1PR1S1PR3S1PR5GGPS1
Bromide SCHEMBL14060445 0.98 S1PR2 (0.59) S1PR2S1PR1S1PR3S1PR5GGPS1
Bromide SCHEMBL14060814 0.98 S1PR2 (0.59) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL17577720 0.86 S1PR2 (0.45) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL2941289 0.82 PPARD (0.54) PPARD
SCHEMBL2185289 0.82 PPARD (0.54) PPARD
SCHEMBL3980817 0.82 PPARD (0.54) PPARD
SCHEMBL503890 0.82 PPARD (0.54) PPARD
SCHEMBL503511 0.82 PPARD (0.54) PPARD
SCHEMBL8029516 0.82 PPARD (0.54) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850265-B2 Amino- or ammonium-containing sulfonic acid, phosphonic acid and carboxylic acid derivatives and their medical use GRI BIO, INC. (US) 2017-12-26 US disclosed
US-20160016981-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE GLYCOREGIMMUNE, INC. (US) 2016-01-21 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-20160016981-A1 AMINO- OR AMMONIUM-CONTAINING SULFONIC ACID, PHOSPHONIC ACID AND CARBOXYLIC ACID DERIVATIVES AND THEIR MEDICAL USE AADAT, AASDHPPT, ASS1 S1PR2 1701/4885S1PR1 1696/4885S1PR3 2169/4885

“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.