SCHEMBL10112804

SCHEMBL10112804

CCCCC(C)CNC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
PAOX Q6QHF9 1/20 0.39
EPHX1 P07099 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
SLC15A1 P46059 1/20 0.39
CA2 P00918 5/20 0.38
CA1 P00915 5/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL19519903 1.00 ACE2 (0.41) ACE2PAOXEPHX1DPP7SLC15A1
SCHEMBL18085370 1.00 ACE2 (0.41) ACE2PAOXEPHX1DPP7SLC15A1
SCHEMBL19519901 0.94 ACE2 (0.48) ACE2PAOXEPHX1DPP7CA1
SCHEMBL19520052 0.94 ACE2 (0.48) ACE2PAOXEPHX1DPP7CA1
SCHEMBL11397604 0.92 ACE2 (0.52) ACE2EPHX1CA1ZDHHC7MAPK1
SCHEMBL8436494 0.87 TSHR (0.42) PAOXEPHX1ZDHHC7MAPK1KDM4E
SCHEMBL22539051 0.86 PLA2G2C (0.39) ACE2PAOXEPHX1DPP7SLC15A1
SCHEMBL14094259 0.83 KDM4E (0.54) PAOXEPHX1ZDHHC7MAPK1KDM4E
SCHEMBL16360403 0.83 CYP2D6 (0.52) ACE2EPHX1DPP7SLC15A1CA2
SCHEMBL11077957 0.83 CYP2D6 (0.52) ACE2EPHX1DPP7SLC15A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3759109-B1 SUBSTITUTED PYRROLIZINE COMPOUNDS AS HBV REPLICATION INHIBITORS GILEAD SCIENCES INC (US) 2023-08-30 EP disclosed
EP-3722297-A1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS Gilead Sciences, Inc. (US) 2020-10-14 EP disclosed
EP-3321265-B1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES INC (US) 2020-05-06 EP disclosed
WO-2019040102-A1 THERAPEUTIC HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2019-02-28 WO disclosed
EP-3321265-A1 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2018-05-16 EP disclosed
EP-3097102-B1 TOLL-LIKE RECEPTOR MODULATING 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed
US-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
US-9670205-B2 Toll like receptor modulator compounds GILEAD SCIENCES, INC. (US) 2017-06-06 US disclosed
WO-2017048727-A1 MODULATORS OF TOLL-LIKE RECPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-03-16 US disclosed
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS GILEAD SCIENCES, INC. 2016-10-06 US disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 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-20170281627-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 ACE2 2888/4885PAOX 1319/4885EPHX1 3828/4885
US-20160289229-A1 TOLL LIKE RECEPTOR MODULATOR COMPOUNDS TLR8, TLR3, TLR6 ACE2 2888/4885PAOX 1319/4885EPHX1 3828/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 ACE2 3342/4885PAOX 14/4885EPHX1 181/4885
US-20170071944-A1 MODULATORS OF TOLL-LIKE RECEPTORS FOR THE TREATMENT OF HIV TLR8, TLR3, TLR6 ACE2 3006/4885PAOX 3381/4885EPHX1 4661/4885

“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.