Sugi Predict

Sugi Predict / Compounds / SCHEMBL80157

SCHEMBL80157

SCHEMBL80157

Cc1ccc(F)c(CCCOc2ccc(CCC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ AAK1 Q2M2I8 10/20 0.33
▸ THRA P10827 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KDR P35968 2/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ BRAF P15056 1/20 0.30
▸ NR3C2 P08235 1/20 0.30

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
SCHEMBL81142 0.91 PTPN1 (0.36) S1PR1PPARGPPARDPPARATHRA
SCHEMBL80868 0.91 PPARG (0.40) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL79753 0.90 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL80675 0.90 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL80658 0.89 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL80104 0.89 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL79667 0.88 S1PR1 (0.36) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL78928 0.88 PPARG (0.44) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL80514 0.88 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL79433 0.88 MEN1 (0.38) S1PR1PPARGPPARDPPARAAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 — — EP disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 — — US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C S1PR1 511/4885PPARG 1030/4885PPARD 1369/4885

“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.