Sugi Predict

Sugi Predict / Compounds / SCHEMBL5502860

SCHEMBL5502860

SCHEMBL5502860

NC(CO)(CO)CCCc1ccc(Sc2cccc(C(F)(F)F)c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.47
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ XBP1 P17861 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL14012878 0.94 S1PR1 (0.47) S1PR1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL3308608 0.93 S1PR1 (0.44) S1PR1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL3303051 0.93 S1PR1 (0.44) S1PR1SLC6A2SLC6A4SLC6A3MAPT
Hydrochloric Acid SCHEMBL3303881 0.92 S1PR1 (0.43) S1PR1SLC6A2SLC6A4SLC6A3MAPT
Hydrochloric Acid SCHEMBL3303871 0.92 S1PR1 (0.43) S1PR1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL1456278 0.90 S1PR1 (0.42) S1PR1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL3303906 0.90 S1PR1 (0.42) S1PR1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL1564040 0.90 S1PR1 (0.50) S1PR1SLC6A2SLC6A4SLC6A3MAPT
Hydrochloric Acid SCHEMBL1455819 0.89 S1PR1 (0.42) S1PR1SLC6A2SLC6A4SLC6A3MAPT
Hydrochloric Acid SCHEMBL1645175 0.89 S1PR1 (0.42) S1PR1SLC6A2SLC6A4SLC6A3MAPT

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
EP-1431284-B1 DIARYL SULFIDE DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT KYORIN SEIYAKU KK (JP) 2007-11-21 — — EP claimed
US-6960692-B2 2-amino-2-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]propyl-1,3-propanediol; autoimmune diseases, rheumatoid arthritis, psoriasis, dermatitis, asthma, hay fever, anti-rejection of organ or bone marrow transplants; side effect reduction KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 — — US claimed
US-20040254222-A1 Diaryl sulfide derivative, addition salt thereof, and immunosuppressant PRIOTHERA LIMITED (IE) 2004-12-16 — — US claimed
EP-1431284-A1 DIARYL SULFIDE DERIVATIVE, ADDITION SALT THEREOF, AND IMMUNOSUPPRESSANT Kyorin Pharmaceutical Co., Ltd. (JP) 2004-06-23 — — EP claimed

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-20040254222-A1 Diaryl sulfide derivative, addition salt thereof, and immunosuppressant TST, IL2, CBS S1PR1 993/4885SLC6A2 1224/4885SLC6A4 777/4885

“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.