SCHEMBL13301596

SCHEMBL13301596

CCCCOC(=N)NC(=O)CC#N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MCL1 Q07820 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
EPHX1 P07099 1/20 0.35
ACHE P22303 6/20 0.34
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NAAA Q02083 1/20 0.33

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
SCHEMBL13301777 0.82 MCL1 (0.46) ALDH1A1GAAMCL1CYP3A4TSHR
SCHEMBL16379743 0.81 ALDH1A1 (0.44) ALDH1A1GAAMCL1SMN1; SMN2MAPT
SCHEMBL13280958 0.81 ALDH1A1 (0.44) ALDH1A1GAAMCL1SMN1; SMN2MAPT
SCHEMBL11879357 0.78 ALDH1A1 (0.44) ALDH1A1MAPTRAB9ANPSR1ATM
SCHEMBL11879764 0.73 EPHX1 (0.44) TSHREPHX1ACHENAAA
SCHEMBL13180453 0.73 ALDH1A1 (0.40) ALDH1A1GAAMCL1SMN1; SMN2MAPT
SCHEMBL317392 0.73 ALDH1A1 (0.50) ALDH1A1MCL1MAPTRAB9ANPSR1
SCHEMBL11214549 0.73 MCL1 (0.48) ALDH1A1GAAMCL1SMN1; SMN2MAPT
SCHEMBL13717269 0.72 NAAA (0.48) ALDH1A1MCL1MAPTRAB9ANPSR1
SCHEMBL11673901 0.71 ALDH1A1 (0.44) ALDH1A1MCL1SMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11110091-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2021-09-07 US disclosed
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2019-10-24 US disclosed
US-10172860-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2019-01-08 US disclosed
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
US-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
EP-3210982-A1 MODULATORS OF TOLL-LIKE RECEPTORS Gilead Sciences, Inc. (US) 2017-08-30 EP disclosed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 US disclosed
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2017-03-09 US disclosed
EP-2818469-B1 Intermediates for the preparation of modulators of toll-like receptors GILEAD SCIENCES INC (US) 2017-02-15 EP disclosed
US-9452166-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2016-09-27 US disclosed
US-8809527-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20140081022-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. 2014-03-20 US disclosed
EP-2364314-B1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES INC (US) 2014-03-12 EP disclosed
US-8629142-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2014-01-14 US disclosed
US-8629142-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2014-01-14 US disclosed
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2013-03-21 US disclosed
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2013-03-21 US disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-8367670-B2 Modulators of toll-like receptors GILEAD SCIENCES, INC. (US) 2013-02-05 US disclosed
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS GILEAD SCIENCES, INC. (US) 2010-06-10 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-20180085370-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 ALDH1A1 3435/4885GAA 2317/4885MCL1 751/4885
US-20100143301-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 ALDH1A1 3435/4885GAA 2317/4885MCL1 751/4885
US-10172860-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 ALDH1A1 3435/4885GAA 2317/4885MCL1 751/4885
US-11110091-B2 Modulators of toll-like receptors TLR3, TLR2, TLR6 ALDH1A1 3435/4885GAA 2317/4885MCL1 751/4885
US-20140081022-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 ALDH1A1 3435/4885GAA 2317/4885MCL1 751/4885
US-20190321366-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 ALDH1A1 3435/4885GAA 2317/4885MCL1 751/4885
US-20170065592-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 ALDH1A1 3435/4885GAA 2317/4885MCL1 751/4885
US-20130071354-A1 MODULATORS OF TOLL-LIKE RECEPTORS TLR3, TLR2, TLR6 ALDH1A1 3435/4885GAA 2317/4885MCL1 751/4885

“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.