SCHEMBL1703089

SCHEMBL1703089

CS(=O)(=O)O[C@@](C#CC1CC1)(c1cc(Cl)ccc1N)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 5/20 0.33
NR1I2 O75469 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
ADRB1 P08588 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33
CCKBR P32239 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1703046 0.88 FFAR4 (0.32) FFAR4
SCHEMBL1702840 0.84 HDAC8 (0.31) FFAR4
SCHEMBL991893 0.83 CYP46A1 (0.35) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1703090 0.79 AR (0.47) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL1703087 0.79 AR (0.47) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL12469967 0.78 DDR1 (0.33) CYP46A1CNR1FFAR1FFAR4DDR1
SCHEMBL12503884 0.78 DDR1 (0.33) CYP46A1CNR1FFAR1FFAR4DDR1
SCHEMBL12503886 0.78 DDR1 (0.33) CYP46A1CNR1FFAR1FFAR4DDR1
SCHEMBL524308 0.73 AR (0.50) CYP46A1NR1I2NR3C1PGRADRB1
SCHEMBL30436667 0.73 AR (0.50) CYP46A1NR1I2NR3C1PGRADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
EP-2627643-B1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-8969550-B2 Process for the synthesis of cyclic carbamates LONZA LTD. (CH) 2015-03-03 US disclosed
US-8957204-B2 Process for the synthesis of cyclic carbamates LONZA LTD. (CH) 2015-02-17 US disclosed
EP-2627642-B1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA AG (CH) 2014-12-24 EP disclosed
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS LONZA LTD (CH) 2013-12-05 US disclosed
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2013-08-22 US disclosed
EP-2627642-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES Lonza Ltd (CH) 2013-08-21 EP disclosed
EP-2627627-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS Lonza Ltd (CH) 2013-08-21 EP disclosed
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2013-08-15 US disclosed
EP-2447247-A1 Process for the synthesis of chiral propargylic alcohols Lonza Ltd. (CH) 2012-05-02 EP disclosed
EP-2447255-A1 Process for the synthesis of cyclic carbamates Lonza Ltd. (CH) 2012-05-02 EP disclosed
WO-2012048887-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS LONZA LTD (CH) 2012-04-19 WO disclosed
WO-2012048886-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2012-04-19 WO disclosed
EP-2441759-A1 Process for the synthesis of cyclic carbamates Lonza Ltd. (CH) 2012-04-18 EP 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 (4 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-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols ADH1C, ADH1A, ADH5 CYP46A1 1175/4885NR1I2 2192/4885NR3C1 986/4885
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, CPS1 CYP46A1 2876/4885NR1I2 4676/4885NR3C1 3534/4885
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS ADH1C, ADH1A, ADH5 CYP46A1 1175/4885NR1I2 2192/4885NR3C1 986/4885
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, PLCB1 CYP46A1 3608/4885NR1I2 4737/4885NR3C1 4425/4885

“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.