SCHEMBL15423562

SCHEMBL15423562

C[C@]1(C(=O)O)C[C@H]1C(F)F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
FFAR3 O14843 1/20 0.33
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL25331476 1.00 APLNR (0.34) APLNRFFAR3MAPK1TP53NFKB1
SCHEMBL25331473 1.00 APLNR (0.34) APLNRFFAR3MAPK1TP53NFKB1
SCHEMBL31530488 1.00 APLNR (0.34) APLNRFFAR3MAPK1TP53NFKB1
SCHEMBL16843480 0.77 CYP3A4 (0.43) LMNASMN1; SMN2NPSR1
SCHEMBL21048297 0.77 CYP3A4 (0.43) LMNASMN1; SMN2NPSR1
SCHEMBL27045965 0.76 TSHR (0.33) APLNRFFAR3CYP2C19LMNA
SCHEMBL25332318 0.74 CYP3A4 (0.33) APLNRFFAR3LMNASMN1; SMN2NPSR1
SCHEMBL20364187 0.74 TSHR (0.32) LMNASMN1; SMN2NPSR1
SCHEMBL19557150 0.74 TSHR (0.32) LMNASMN1; SMN2NPSR1
SCHEMBL19557120 0.72 F10 (0.36) HIF1ALMNASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030033-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-07-24 US disclosed
US-20180194721-A1 DIFLUOROALKYLCYCLOPROPYL AMINO ACIDS AND ESTERS, AND SYNTHESES THEREOF ABBVIE INC. 2018-07-12 US disclosed
US-20180057482-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ABBVIE INC. 2018-03-01 US disclosed
US-9862728-B2 Crystalline forms of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-01-09 US disclosed
US-9809534-B1 Difluoroalkylcyclopropyl amino acids and esters, and syntheses thereof ABBVIE INC. (US) 2017-11-07 US disclosed
US-9809576-B1 Synthetic route to anti-viral agents ABBVIE INC. (US) 2017-11-07 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC 2017-09-21 US disclosed
US-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. 2017-07-27 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9562058-B2 Crystalline forms of an antiviral compound GILEAD SCIENCES, INC. (US) 2017-02-07 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-9440991-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2016-09-13 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150175625-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2015-06-25 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20150175626-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2015-06-25 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 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 (12 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-20170210756-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 APLNR 4758/4885FFAR3 4759/4885MAPK1 1363/4885
US-20150175625-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND HAVCR2, IFNAR1, ZC3HAV1 APLNR 4217/4885FFAR3 1782/4885MAPK1 2545/4885
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 APLNR 4663/4885FFAR3 3062/4885MAPK1 3693/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 APLNR 4641/4885FFAR3 2710/4885MAPK1 3681/4885
US-10030033-B2 Synthesis of an antiviral compound EIF2AK2, MAVS, SARS1 APLNR 4758/4885FFAR3 4759/4885MAPK1 1363/4885
US-20180194721-A1 DIFLUOROALKYLCYCLOPROPYL AMINO ACIDS AND ESTERS, AND SYNTHESES THEREOF DNPEP, PEPD, ANPEP APLNR 1683/4885FFAR3 1496/4885MAPK1 2801/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 APLNR 4641/4885FFAR3 2710/4885MAPK1 3681/4885
US-20180057482-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ACE, ACE2, PREP APLNR 3213/4885FFAR3 4724/4885MAPK1 2037/4885
US-20150175626-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 APLNR 4758/4885FFAR3 4759/4885MAPK1 1363/4885
US-20170267694-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND HAVCR2, IFNAR1, ZC3HAV1 APLNR 4217/4885FFAR3 1782/4885MAPK1 2545/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC APLNR 4687/4885FFAR3 2973/4885MAPK1 2824/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 APLNR 4641/4885FFAR3 2710/4885MAPK1 3681/4885

“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.