SCHEMBL14209883

SCHEMBL14209883

COC(=O)C[C@@H](CC(=O)CI)OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KCNA5 P22460 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL14700382 0.89 TSHR (0.46) TSHRTP53KMT2AMEN1POLB
SCHEMBL14209896 0.86 MEN1 (0.44) TSHRTP53KMT2AMEN1NPC1
SCHEMBL5083377 0.84 TSHR (0.50) TSHRTP53KMT2AMEN1POLB
SCHEMBL15801084 0.82 TSHR (0.42) TSHRTP53KMT2AMEN1POLB
SCHEMBL14209875 0.82 TSHR (0.42) TSHRTP53KMT2AMEN1POLB
SCHEMBL14209885 0.81 TSHR (0.44) TSHRTP53KMT2AMEN1POLB
SCHEMBL6154377 0.79 TSHR (0.49) TSHRTP53KMT2AMEN1POLB
SCHEMBL14209880 0.79 TSHR (0.45) TSHRTP53KMT2AMEN1POLB
SCHEMBL14232641 0.79 TSHR (0.45) TSHRTP53KMT2AMEN1POLB
SCHEMBL14700381 0.78 TSHR (0.44) TSHRTP53KMT2AMEN1POLB

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-8933269-B2 Rosuvastatin calcium intermediate and method for preparing the same PORTON FINE CHEMICALS LTD. (CN) 2015-01-13 US disclosed
US-8933269-B2 Rosuvastatin calcium intermediate and method for preparing the same PORTON FINE CHEMICALS LTD. (CN) 2015-01-13 US disclosed
EP-2557084-B1 ROSUVASTATIN CALCIUM INTERMEDIATE AND PREPARATION METHOD THEREOF PORTON FINE CHEMICALS LTD (CN) 2014-06-18 EP disclosed
US-20120310000-A1 ROSUVASTATIN CALCIUM INTERMEDIATE AND METHOD FOR PREPARING THE SAME PORTON FINE CHEMICALS LTD. (CN) 2012-12-06 US disclosed
US-20120310000-A1 ROSUVASTATIN CALCIUM INTERMEDIATE AND METHOD FOR PREPARING THE SAME PORTON FINE CHEMICALS LTD. (CN) 2012-12-06 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-20120310000-A1 ROSUVASTATIN CALCIUM INTERMEDIATE AND METHOD FOR PREPARING THE SAME ROS1, KCNN2, KCNN4 TSHR 3934/4885TP53 2159/4885KMT2A 1935/4885

“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.