SCHEMBL23600426

SCHEMBL23600426

CS(=O)(=O)c1ccc([C@H](O)[C@H]2COC(=O)N2Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNKP Q96T60 1/20 0.42
LMNA P02545 1/20 0.41
CCR2 P41597 2/20 0.39
IDH1 O75874 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
IL6ST P40189 1/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
PIK3CD O00329 1/20 0.36

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
SCHEMBL23600429 0.84 HCRTR1 (0.38) LMNACCR2IDH1HCRTR1HCRTR2
SCHEMBL23600430 0.83 LMNA (0.39) LMNACCR2IDH1HCRTR1HCRTR2
SCHEMBL23600545 0.79 PNKP (0.46) PNKPLMNACCR2
SCHEMBL27888833 0.79 PNKP (0.46) PNKPLMNACCR2
SCHEMBL21584022 0.78 IL6ST (0.44) IDH1IL6STPIK3CD
SCHEMBL21584027 0.78 IL6ST (0.44) IDH1IL6STPIK3CD
SCHEMBL21582049 0.76 IL6ST (0.42) IDH1IL6STPIK3CD
SCHEMBL4309720 0.74 PIK3CD (0.43) IDH1HCRTR1HCRTR2IL6STPIK3CD
SCHEMBL21582034 0.73 EHMT2 (0.42) IDH1HCRTR1HCRTR2IL6STPIK3CD
SCHEMBL21582036 0.73 EHMT2 (0.42) IDH1HCRTR1HCRTR2IL6STPIK3CD

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-20210198192-A1 METHODS FOR PREPARING FLORFENIOL AND INTERMEDIATE THEREOF HEADING (NANJING) PHARMTECHNOLOGIES CO., LTD. (CN) 2021-07-01 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-20210198192-A1 METHODS FOR PREPARING FLORFENIOL AND INTERMEDIATE THEREOF CYP4F3, CYP4F11, CYP2F1 PNKP 3217/4885LMNA 1334/4885CCR2 1452/4885

“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.