SCHEMBL1584533

SCHEMBL1584533

CC[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
AGTR2 P50052 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
HTRA1 Q92743 1/20 0.35
TGM2 P21980 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
SCHEMBL29015317 1.00 NR1H2 (0.43) NR1H2SMN1; SMN2HSD17B10AGTR2CHRM2
SCHEMBL1645992 1.00 NR1H2 (0.43) NR1H2SMN1; SMN2HSD17B10AGTR2CHRM2
SCHEMBL15817337 1.00 NR1H2 (0.43) NR1H2SMN1; SMN2HSD17B10AGTR2CHRM2
SCHEMBL1584537 1.00 NR1H2 (0.43) NR1H2SMN1; SMN2HSD17B10AGTR2CHRM2
SCHEMBL16183221 0.88 NR1H2 (0.41) NR1H2SMN1; SMN2HSD17B10AGTR2CHRM2
SCHEMBL1242322 0.88 NR1H2 (0.41) NR1H2SMN1; SMN2HSD17B10AGTR2CHRM2
SCHEMBL1914761 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL3191040 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL7807219 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1
SCHEMBL26777581 0.88 NR1H2 (0.54) NR1H2SMN1; SMN2HSD17B10CHRM2CHRM1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3404030-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2018-11-21 EP disclosed
US-20180244684-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2018-08-30 US disclosed
US-20170369502-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-12-28 US disclosed
US-20170369502-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-12-28 US disclosed
EP-3239152-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2017-11-01 EP disclosed
EP-3239152-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2017-11-01 EP disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-9738629-B2 Bridged ring compounds as Hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-08-22 US disclosed
US-9738629-B2 Bridged ring compounds as Hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-08-22 US disclosed
WO-2014100500-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-06-26 WO disclosed
US-20140178336-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2014-06-26 US disclosed
US-20140178336-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2014-06-26 US disclosed
US-20140178336-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2014-06-26 US disclosed
WO-2014100500-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-06-26 WO disclosed
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 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 (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-20170369502-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 NR1H2 2935/4885SMN1; SMN2 816/4885HSD17B10 3620/4885
US-20180244684-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 NR1H2 2935/4885SMN1; SMN2 816/4885HSD17B10 3620/4885
US-20140178336-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 NR1H2 2935/4885SMN1; SMN2 816/4885HSD17B10 3620/4885
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 NR1H2 160/4885SMN1; SMN2 4737/4885HSD17B10 1281/4885

“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.