SCHEMBL21754778

SCHEMBL21754778

CC1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 4/20 0.42
GJA1 P17302 3/20 0.42
PDE2A O00408 2/20 0.42
SSTR4 P31391 3/20 0.37
SSTR1 P30872 2/20 0.37
SSTR2 P30874 2/20 0.37
SSTR3 P32745 2/20 0.37
SSTR5 P35346 2/20 0.37
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR1A P08908 1/20 0.35
TACR2 P21452 1/20 0.34

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
SCHEMBL21754810 0.88 GJB2 (0.43) GJB2GJA1PDE2ASSTR4SSTR1
SCHEMBL19227794 0.86 PDE2A (0.48) GJB2PDE2ASSTR4SSTR1SSTR2
SCHEMBL15481891 0.86 GJB2 (0.42) GJB2GJA1PDE2ASSTR4SSTR1
SCHEMBL15481850 0.85 GJB2 (0.46) GJB2GJA1PDE2ASSTR4SSTR1
SCHEMBL16756868 0.84 GJB2 (0.47) GJB2GJA1PDE2ASSTR4SSTR1
SCHEMBL26354122 0.83 HTR1A (0.48) GJB2PDE2ASSTR4SSTR1SSTR2
SCHEMBL6809981 0.75 SSTR4 (0.49) GJB2GJA1SSTR4SSTR1SSTR2
SCHEMBL15481846 0.75 GJB2 (0.41) GJB2GJA1PDE2ASSTR4SSTR1
SCHEMBL17320855 0.74 HTR1A (0.50) GJB2SSTR4SSTR1SSTR2SSTR3
SCHEMBL15481960 0.74 GJB2 (0.42) GJB2GJA1PDE2ASSTR4SSTR1

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-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2020-02-25 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-10570112-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl)cytosine, synthetic intermediate of thionucleoside, and method for producing the same TYMS, TYMP, RRM2B GJB2 3998/4885GJA1 3982/4885PDE2A 3851/4885

“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.