SCHEMBL5899733

SCHEMBL5899733

NCC1(C(=O)O)CC1(CCCOCc1ccccc1)CCCOCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.41
TEAD3 Q99594 2/20 0.40
SPHK1 Q9NYA1 2/20 0.39
CPB2 Q96IY4 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NAAA Q02083 1/20 0.35
SLC1A1 P43005 3/20 0.35
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5899732 0.92 ALDH1A1 (0.40) EPHX2TEAD3SPHK1HTTSMN1; SMN2
SCHEMBL5899565 0.83 TSHR (0.40) SMN1; SMN2L3MBTL1TSHRALDH1A1SLC1A1
SCHEMBL5899786 0.70 EPHX2 (0.46) EPHX2TEAD3SPHK1CPB2HTT
SCHEMBL2079376 0.69 TSHR (0.50) EPHX2TEAD3SPHK1HTTSMN1; SMN2
SCHEMBL20295088 0.68 ALDH1A1 (0.46) EPHX2TEAD3SPHK1HTTSMN1; SMN2
SCHEMBL2782 0.68 TSHR (0.58) SMN1; SMN2L3MBTL1TSHRNAAATDP1
SCHEMBL20288018 0.68 DPP4 (0.38) EPHX2TEAD3SPHK1L3MBTL1TSHR
SCHEMBL6167903 0.67 EPHX2 (0.53) EPHX2TEAD3SPHK1HTTSMN1; SMN2
SCHEMBL2640223 0.67 TSHR (0.70) EPHX2L3MBTL1TSHRNAAATDP1
SCHEMBL8621469 0.67 TSHR (0.70) TEAD3L3MBTL1TSHRNAAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030267-B2 Cycloproply β-amino acid derivatives WARNER-LAMBERT COMPANY, LLC (US) 2006-04-18 US disclosed
EP-1592661-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES Warner-Lambert Company LLC (US) 2005-11-09 EP disclosed
WO-2004065361-A2 CYCLOPROPYL BETA-AMINO ACID DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO disclosed
US-20040147608-A1 Cyclopropyl beta-amino acid derivatives SCHWARZ JACOB BRADLEY (US) 2004-07-29 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-20040147608-A1 Cyclopropyl beta-amino acid derivatives CACNA1S, CACNA1D, CACNA1B EPHX2 2475/4885TEAD3 2393/4885SPHK1 4002/4885

“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.