SCHEMBL26063145

SCHEMBL26063145

C=C(C)C(=O)OC(CCCCC)n1ccc(=S)[nH]c1=S

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL26063139 0.90 ALDH1A1 (0.34) TSHRALDH1A1CYP2C19
SCHEMBL26063142 0.89 CYP2C19 (0.35) MMP2TSHRALDH1A1CYP2C19
SCHEMBL26063163 0.80 CYP2C19 (0.38) TSHRALDH1A1CYP2C19
SCHEMBL26063149 0.77 ASAH1 (0.42) ALDH1A1CYP2C19
SCHEMBL26063147 0.75 MMP9 (0.36) MMP2ALDH1A1CYP2C19
SCHEMBL16694192 0.73 TSHR (0.42) TSHRALDH1A1CYP2C19
SCHEMBL26063228 0.71 LPO (0.32) TSHR
SCHEMBL28294395 0.71 TSHR (0.38) TSHRALDH1A1CYP2C19
SCHEMBL16694185 0.69 TSHR (0.40) TSHRALDH1A1
SCHEMBL28294389 0.67 TSHR (0.36) TSHRALDH1A1CYP2C19

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-20230273456-A1 OPTICALLY ACTIVE DEVICES JOHNSON & JOHNSON SURGICAL VISION INC (US) 2023-08-31 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-20230273456-A1 OPTICALLY ACTIVE DEVICES PDE6C, PDE6D, PDE6A MMP2 3263/4885TSHR 4585/4885ALDH1A1 277/4885

“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.