SCHEMBL16843451

SCHEMBL16843451

C=CCOC(C(=O)OCC)=C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.37
GLO1 Q04760 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 4/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
HSD17B10 Q99714 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 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
SCHEMBL3919616 0.80 TSHR (0.39) TSHRNPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL3919618 0.80 TSHR (0.39) TSHRNPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL3930383 0.76 GLO1 (0.37) TSHRNPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL3930385 0.76 GLO1 (0.37) TSHRNPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL1245485 0.75 ALDH1A1 (0.44) TSHRNPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL17960733 0.75 ALDH1A1 (0.44) TSHRNPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL4174829 0.74 MAPT (0.44) TSHRNPSR1GLO1ALDH1A1SMN1; SMN2
SCHEMBL5322687 0.72 TSHR (0.41) TSHRALDH1A1SMN1; SMN2MAPTCYP3A4
SCHEMBL44777 0.71
SCHEMBL10887615 0.70 CYP3A4 (0.39) TSHRNPSR1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442792-B2 Synthetic route to anti-viral agents ABBVIE INC. (US) 2019-10-15 US disclosed
US-20190084966-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ABBVIE INC. 2019-03-21 US disclosed
EP-3087085-B1 SYNTHESIS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE GILEAD SCIENCES INC (US) 2019-02-20 EP disclosed
US-10030033-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-07-24 US disclosed
US-10030033-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2018-07-24 US disclosed
US-20180057482-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ABBVIE INC. 2018-03-01 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-9809576-B1 Synthetic route to anti-viral agents 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-9562058-B2 Crystalline forms of an antiviral compound GILEAD SCIENCES, INC. (US) 2017-02-07 US disclosed
US-9562058-B2 Crystalline forms of an antiviral compound GILEAD SCIENCES, INC. (US) 2017-02-07 US disclosed
US-9440991-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2016-09-13 US disclosed
US-9440991-B2 Synthesis of an antiviral compound GILEAD SCIENCES, INC. (US) 2016-09-13 US disclosed
WO-2015100144-A1 CRYSTALLINE FORMS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE GILEAD SCIENCES, INC. (US) 2015-07-02 WO disclosed
WO-2015100145-A1 SYNTHESIS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE GILEAD SCIENCES, INC. (US) 2015-07-02 WO disclosed
US-20150175625-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2015-06-25 US disclosed
US-20150175625-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2015-06-25 US disclosed
US-20150175626-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2015-06-25 US disclosed
US-20150175626-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2015-06-25 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 (6 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-20150175625-A1 CRYSTALLINE FORMS OF AN ANTIVIRAL COMPOUND HAVCR2, IFNAR1, ZC3HAV1 TSHR 532/4885NPSR1 4042/4885GLO1 3827/4885
US-10442792-B2 Synthetic route to anti-viral agents ACE, ACE2, PREP TSHR 4664/4885NPSR1 3124/4885GLO1 2512/4885
US-10030033-B2 Synthesis of an antiviral compound EIF2AK2, MAVS, SARS1 TSHR 4561/4885NPSR1 3271/4885GLO1 2907/4885
US-20180057482-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ACE, ACE2, PREP TSHR 4664/4885NPSR1 3124/4885GLO1 2512/4885
US-20190084966-A1 SYNTHETIC ROUTE TO ANTI-VIRAL AGENTS ACE, ACE2, PREP TSHR 4664/4885NPSR1 3124/4885GLO1 2512/4885
US-20150175626-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, MAVS, SARS1 TSHR 4561/4885NPSR1 3271/4885GLO1 2907/4885

“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.