SCHEMBL4653335

SCHEMBL4653335

CC(C)OC(=O)c1ncccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
ELANE P08246 3/20 0.40
KDM4E B2RXH2 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL6325593 0.83 L3MBTL1 (0.55) ALDH1A1HPGDELANEKDM4ESMN1; SMN2
SCHEMBL9944385 0.78 ELANE (0.46) ALDH1A1ELANEKDM4ECA12CA1
SCHEMBL28241780 0.78 MAPT (0.50) ALDH1A1ELANEKDM4ECA12CA1
SCHEMBL17260775 0.77 ELANE (0.49) ALDH1A1HPGDELANEKDM4ESMN1; SMN2
SCHEMBL28430192 0.76 GRM4 (0.43) ALDH1A1HPGDELANEKDM4ECA12
SCHEMBL28423158 0.76 MAPT (0.46) ALDH1A1ELANEKDM4ECA12CA1
Water SCHEMBL15167306 0.75 KDM4E (0.55) ALDH1A1HPGDELANEKDM4ESMN1; SMN2
SCHEMBL936114 0.75 KDM4E (0.55) ALDH1A1HPGDELANEKDM4ESMN1; SMN2
SCHEMBL4147133 0.75 KDM4E (0.61) ALDH1A1ELANEKDM4ECA12CA1
SCHEMBL4069169 0.74 MAPT (0.45) ALDH1A1ELANEKDM4ECA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973908-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-10-01 EP disclosed
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds GILEAD SCIENCES, LLC 2008-02-14 US disclosed
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds GILEAD SCIENCES, LLC 2008-02-14 US disclosed
WO-2007076005-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-07-05 WO disclosed
WO-2007076005-A2 PROCESSES AND INTERMEDIATES USEFUL FOR PREPARING INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-07-05 WO disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 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 (2 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS ALDH1A1 1987/4885HPGD 1068/4885ELANE 2360/4885
US-20080039487-A1 Processes and intermediates useful for preparing integrase inhibitor compounds TYMP, DUT, SAMHD1 ALDH1A1 1879/4885HPGD 981/4885ELANE 3607/4885

“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.