Sugi Predict

Sugi Predict / Compounds / SCHEMBL79272

SCHEMBL79272

SCHEMBL79272

CC(C)(C)OC(=O)NC1(CCc2ccc(OCCCc3cccc(-c4ccccc4)c3)c(C(F)(F)F)c2)COC(C)(C)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.37
▸ S1PR4 O95977 3/20 0.37
▸ S1PR5 Q9H228 3/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ THRA P10827 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
SCHEMBL79408 0.95 S1PR1 (0.41) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL80424 0.95 PPARG (0.38) S1PR1S1PR4S1PR5S1PR3PPARG
SCHEMBL79846 0.91 S1PR1 (0.35) S1PR1CTSSCTSKPPARGPPARD
SCHEMBL80104 0.91 S1PR1 (0.35) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL80595 0.91 FFAR4 (0.37) S1PR1RXRARXRBRXRGHDAC1
SCHEMBL81897 0.91 S1PR1 (0.37) S1PR1S1PR4S1PR5S1PR3RXRA
SCHEMBL80214 0.90 S1PR1 (0.35) S1PR1CTSBCTSSCTSKPPARG
SCHEMBL79200 0.90 MRGPRX4 (0.38) S1PR1PPARGPPARDPPARAAAK1
SCHEMBL77941 0.89 MTNR1B (0.38) S1PR1HDAC1
SCHEMBL80231 0.89 PPIA (0.39) S1PR1S1PR4S1PR5S1PR3CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 511/4885S1PR4 578/4885S1PR5 402/4885

“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.