SCHEMBL16222787

SCHEMBL16222787

CCOC(=O)OC(=O)C(CC)(CSC(C)(C)C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.41
ALDH1A1 P00352 2/20 0.35
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 2/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL16222562 1.00 SOAT1 (0.41) SOAT1ALDH1A1METAP2METAP1L3MBTL1
SCHEMBL16222563 0.92 SOAT1 (0.42) SOAT1ALDH1A1METAP2METAP1L3MBTL1
SCHEMBL16222789 0.92 SOAT1 (0.42) SOAT1ALDH1A1METAP2METAP1L3MBTL1
SCHEMBL16222570 0.90 SOAT1 (0.38) SOAT1ALDH1A1METAP2METAP1L3MBTL1
SCHEMBL16222790 0.90 SOAT1 (0.38) SOAT1ALDH1A1METAP2METAP1L3MBTL1
SCHEMBL16222501 0.87 MEN1 (0.39) ALDH1A1METAP2METAP1L3MBTL1PKM
SCHEMBL16222518 0.85 DGAT1 (0.34) ALDH1A1
SCHEMBL16222697 0.83 SOAT1 (0.42) SOAT1ALDH1A1METAP2METAP1PKM
SCHEMBL16222545 0.83 SOAT1 (0.42) SOAT1ALDH1A1METAP2METAP1PKM
SCHEMBL16222513 0.82 MEN1 (0.42) ALDH1A1METAP2METAP1L3MBTL1PKM

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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 US disclosed
WO-2014178433-A1 METHOD FOR PRODUCING α-SUBSTITUTED CYSTEINE OR SALT THEREOF OR INTERMEDIATE FOR SYNTHESIS OF α-SUBSTITUTED CYSTEINE 株式会社エーピーアイ コーポレーション (JP) 2014-11-06 WO 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS SOAT1 353/4885ALDH1A1 236/4885METAP2 17/4885

“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.