SCHEMBL10308366

SCHEMBL10308366

CC(C)C(=O)/C=C\C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
TP53 P04637 1/20 0.33
HCAR2 Q8TDS4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL10308367 1.00 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12377749 0.87 TSHR (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1671635 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11918241 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2622481 0.87 TSHR (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24256293 0.85 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24725437 0.85 GABRP (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4474378 0.83
SCHEMBL9860318 0.83
SCHEMBL9860320 0.83

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
US-9776982-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2017-10-03 US disclosed
US-20170081303-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. 2017-03-23 US disclosed
US-20160368889-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME CORSAIR PHARMA INC (US) 2016-12-22 US disclosed
US-9505737-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2016-11-29 US disclosed
US-20160326307-A1 POLYESTER HYDROGELS BASF SE (DE) 2016-11-10 US disclosed
US-9371264-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2016-06-21 US disclosed
WO-2016010538-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. (US) 2016-01-21 WO disclosed
US-20150166503-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. 2015-06-18 US disclosed
US-20140256730-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. (US) 2014-09-11 US disclosed
WO-2014110491-A1 PRODRUGS OF TREPROSTINIL THERATROPHIX LLC (US) 2014-07-17 WO disclosed
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS FRANKLIN RICHARD (GB) 2012-08-09 US disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 US disclosed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 US disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 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 (8 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 GABRP 28/4885GABRD 53/4885GABRA1 159/4885
US-20150166503-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 GABRP 1595/4885GABRD 2296/4885GABRA1 3563/4885
US-20120202756-A1 USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS OPRM1, UGT1A6, UGT1A4 GABRP 622/4885GABRD 1528/4885GABRA1 1125/4885
US-20170081303-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 GABRP 1595/4885GABRD 2296/4885GABRA1 3563/4885
US-20160368889-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 GABRP 1595/4885GABRD 2296/4885GABRA1 3563/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA GABRP 770/4885GABRD 657/4885GABRA1 859/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA GABRP 770/4885GABRD 657/4885GABRA1 859/4885
US-20140256730-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 GABRP 1595/4885GABRD 2296/4885GABRA1 3563/4885

“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.