Sugi Predict

Sugi Predict / Compounds / SCHEMBL13259200

SCHEMBL13259200

SCHEMBL13259200

CCOC(=O)C(C)(CC)CCCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.55
▸ MAOB P27338 2/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ PRKX P51817 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ MCTS1 Q9ULC4 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35

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
SCHEMBL1563421 0.91 S1PR1 (0.55) S1PR1MAOBLTB4RLTB4R2PRKX
SCHEMBL1563313 0.91 S1PR1 (0.56) S1PR1MAOBS1PR3LTB4RLTB4R2
SCHEMBL1563293 0.90 S1PR1 (0.53) S1PR1MAOBLTB4RLTB4R2PRKX
SCHEMBL1563281 0.90 S1PR1 (0.53) S1PR1MAOBS1PR3LTB4RLTB4R2
SCHEMBL1563116 0.89 S1PR1 (0.55) S1PR1MAOBS1PR3LTB4RLTB4R2
SCHEMBL1564081 0.88 S1PR1 (0.61) S1PR1MAOBS1PR3LTB4RLTB4R2
SCHEMBL1564022 0.88 S1PR1 (0.58) S1PR1MAOBS1PR3LTB4RLTB4R2
SCHEMBL1562467 0.86 S1PR1 (0.50) S1PR1MAOBLTB4RLTB4R2PRKX
SCHEMBL1564076 0.86 S1PR1 (0.59) S1PR1MAOBS1PR3LTB4RLTB4R2
SCHEMBL1563172 0.86 S1PR1 (0.57) S1PR1MAOBS1PR3LTB4RLTB4R2

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-7759326-B2 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-20 — — US disclosed
US-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus KOHNO YASUSHI 2008-11-06 — — 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-20080275008-A1 Modulate sphingosine-1-phosphate (S1P) receptors with fewer side effects; for example, 2-amino-5-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]-2-methylpentylphosphonic acid monoester; prophylactic or therapeutic agents against rejection of organ transplants, skin grafts, rheumatoid arthritis, lupus S1PR1, S1PR2, S1PR5 S1PR1 1/4885MAOB 3819/4885S1PR3 4/4885

“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.