SCHEMBL16222789

SCHEMBL16222789

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.42
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
PKM P14618 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.31
MMP8 P22894 1/20 0.30
METAP2 P50579 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
SCHEMBL16222563 1.00 SOAT1 (0.42) SOAT1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL16222787 0.92 SOAT1 (0.41) SOAT1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL16222562 0.92 SOAT1 (0.41) SOAT1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL16222513 0.90 MEN1 (0.42) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16222555 0.88 SOAT1 (0.40) SOAT1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL16222798 0.88 SOAT1 (0.40) SOAT1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL16222791 0.85 SOAT1 (0.38) SOAT1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL17622442 0.85 SOAT1 (0.38) SOAT1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL16222501 0.85 MEN1 (0.39) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL16222570 0.82 SOAT1 (0.38) SOAT1ALDH1A1MEN1KMT2AL3MBTL1

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 236/4885LMNA 4014/4885

“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.