SCHEMBL80612

SCHEMBL80612

Cc1cccc(CCCOc2ccc(CCC3(NC(=O)OC(C)(C)C)COC(C)(C)OC3)cc2C(F)(F)F)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S1PR1 P21453 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MAPT P10636 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
AAK1 Q2M2I8 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
PPARG P37231 2/20 0.31
RPS6KA1 Q15418 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GLS O94925 1/20 0.31
LMNA P02545 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
SCHEMBL79433 0.94 MEN1 (0.38) MEN1KMT2AS1PR1FFAR1FFAR4
SCHEMBL80158 0.91 FFAR1 (0.37) MEN1KMT2AS1PR1FFAR1FFAR4
SCHEMBL92897 0.89 S1PR1 (0.35) MEN1KMT2AS1PR1FFAR1FFAR4
SCHEMBL81142 0.89 PTPN1 (0.36) MEN1KMT2AS1PR1FFAR1FFAR4
SCHEMBL81543 0.89 NQO2 (0.35) MEN1KMT2AS1PR1FFAR1FFAR4
SCHEMBL79514 0.89 S1PR1 (0.34) S1PR1FFAR1FFAR4THRATHRB
SCHEMBL80006 0.89 LMNA (0.35) MEN1KMT2AS1PR1FFAR1FFAR4
SCHEMBL80104 0.89 S1PR1 (0.35) S1PR1FFAR4MAPTTHRATHRB
SCHEMBL79544 0.88 S1PR1 (0.36) MEN1KMT2AS1PR1FFAR1FFAR4
SCHEMBL80868 0.88 PPARG (0.40) MEN1KMT2AS1PR1THRATHRB

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 7 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
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 MEN1 1026/4885KMT2A 525/4885S1PR1 511/4885

“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.