SCHEMBL13993133

SCHEMBL13993133

COC(=O)CCCNC(=O)C(O)CSC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.45
▸ EPHX2 P34913 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ TLR2 O60603 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL13993134 0.83 ADRA1A (0.43) EPHX2LMNATLR2
SCHEMBL18782967 0.79 PTGS1 (0.51) TSHRALDH1A1TLR2
SCHEMBL14521457 0.77 TSHR (0.54) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL18782966 0.75 DNM1 (0.42) ALDH1A1LMNA
SCHEMBL18783177 0.74 ALDH1A1 (0.56) TSHRALDH1A1SMN1; SMN2CYP3A4
SCHEMBL18199365 0.73 TSHR (0.38) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL17885891 0.72 TSHR (0.52) TSHREPHX2ALDH1A1LMNACYP2D6
SCHEMBL13993135 0.71 TSHR (0.47) TSHREPHX2ALDH1A1SMN1; SMN2LMNA
SCHEMBL14854351 0.71 TLR2 (0.48) EPHX2ALDH1A1LMNATLR2
SCHEMBL21538522 0.70 TSHR (0.61) TSHREPHX2ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-12-25 — — 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-20080319065-A1 Systemic and Intrathecal Effects of a Novel Series of Phospholipase A2 Inhibitors on Hyperalgesia and Spinal Pge2 Release PLA2G4A, PLA2G4B, PLA2G2A TSHR 4228/4885EPHX2 140/4885ALDH1A1 3131/4885

“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.

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