SCHEMBL5945293

SCHEMBL5945293

CCCP(=O)(Oc1ccccc1)OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.48
CDK9 P50750 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 1/20 0.44
PRTN3 P24158 1/20 0.42
ANPEP P15144 1/20 0.42
LAP3 P28838 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL4454035 0.86 L3MBTL1 (0.53) L3MBTL1PRTN3MEN1KMT2A
SCHEMBL5945294 0.85 ANPEP (0.44) CCNT1CDK9L3MBTL1ALDH1A1ANPEP
SCHEMBL14600552 0.81 ANPEP (0.46) L3MBTL1ALDH1A1ANPEPLAP3MEN1
SCHEMBL5945612 0.81 BTN3A1 (0.45) L3MBTL1ALDH1A1PRTN3ANPEPLAP3
SCHEMBL5945483 0.81 BTN3A1 (0.45) L3MBTL1ALDH1A1PRTN3ANPEPLAP3
SCHEMBL5945489 0.81 BTN3A1 (0.45) L3MBTL1ALDH1A1PRTN3ANPEPLAP3
SCHEMBL9485312 0.79 BTN3A1 (0.41) CCNT1CDK9L3MBTL1ALDH1A1ANPEP
SCHEMBL649001 0.78 MEN1 (0.51) L3MBTL1MEN1KMT2A
SCHEMBL7739962 0.75 CTSA (0.42) L3MBTL1ALDH1A1
SCHEMBL4456003 0.75 L3MBTL1 (0.50) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172295-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-07-04 US disclosed
US-8431745-B2 Process for preparation of HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120258935-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHBITORS GILEAD SCIENCES, INC. (US) 2012-10-11 US disclosed
US-8173623-B2 Process for preparation of HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2012-05-08 US disclosed
US-20110065631-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC (US) 2011-03-17 US disclosed
US-20080004242-A1 Process for preparation of HIV protease inhibitors GILEAD SCIENCES, INC. 2008-01-03 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-20130172295-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHIBITORS PRSS1, PREP, SERPINB1 CCNT1 517/4885CDK9 352/4885L3MBTL1 3523/4885
US-20120258935-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHBITORS PREP, FURIN, PRSS1 CCNT1 916/4885CDK9 715/4885L3MBTL1 3677/4885
US-20110065631-A1 PROCESS FOR PREPARATION OF HIV PROTEASE INHIBITORS PREP, PRSS1, SERPINB1 CCNT1 410/4885CDK9 204/4885L3MBTL1 3993/4885
US-20080004242-A1 Process for preparation of HIV protease inhibitors PRSS1, PREP, SERPINB1 CCNT1 517/4885CDK9 352/4885L3MBTL1 3523/4885

“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.