SCHEMBL2076248

SCHEMBL2076248

Cc1ccc(S(=O)(=O)OC[C@H](O)CCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CNR2 P34972 3/20 0.43
BACE1 P56817 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FKBP1A P62942 1/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.40
PLAU P00749 1/20 0.40
HPN P05981 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
DHODH Q02127 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2076249 1.00 ALDH1A1 (0.51) ALDH1A1CNR2BACE1BCHEACHE
SCHEMBL2076247 1.00 ALDH1A1 (0.51) ALDH1A1CNR2BACE1BCHEACHE
SCHEMBL19321714 0.93 ALDH1A1 (0.42) ALDH1A1CNR2CA12CA9DHODH
SCHEMBL17593248 0.87 EGFR (0.43) ALDH1A1CYP1A2CYP3A4LMNADHODH
SCHEMBL17593249 0.87 EGFR (0.43) ALDH1A1CYP1A2CYP3A4LMNADHODH
SCHEMBL17593246 0.87 EGFR (0.43) ALDH1A1CYP1A2CYP3A4LMNADHODH
SCHEMBL7925816 0.86 GAA (0.49) ALDH1A1BCHEACHECA12CYP1A2
SCHEMBL7933300 0.86 GAA (0.49) ALDH1A1BCHEACHECA12CYP1A2
SCHEMBL21378598 0.86 GAA (0.49) ALDH1A1BCHEACHECA12CYP1A2
SCHEMBL4596569 0.86 ALDH1A1 (0.53) ALDH1A1CNR2BCHEACHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897793-B2 Forming latanoprost; alkylation; reductive desulfurization INSTYTUT FARMACEUTYCZNY (PL) 2011-03-01 US disclosed
US-20090093651-A1 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2 ALPHA DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2009-04-09 US disclosed
US-20080207926-A1 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2 ALPHA DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2008-08-28 US disclosed
EP-1891005-A2 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2 ALPHA DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2008-02-27 EP disclosed
WO-2006112742-A2 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2α DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2006-10-26 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 (2 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-20090093651-A1 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2 ALPHA DERIVATIVES PTGIS, PTGS2, PTGES2 ALDH1A1 599/4885CNR2 200/4885BACE1 3496/4885
US-20080207926-A1 PROCESS FOR PREPARATION OF 13,14-DIHYDRO-PGF2 ALPHA DERIVATIVES PTGIS, PTGS2, PTGES2 ALDH1A1 599/4885CNR2 200/4885BACE1 3496/4885

“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.