SCHEMBL1274571

SCHEMBL1274571

CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 1.00
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX1 P07099 1/20 0.46
CA3 P07451 2/20 0.45
CA5A P35218 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 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
SCHEMBL3486833 0.94 CA14 (0.89) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL14439578 0.94 CA14 (0.89) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL1273893 0.93 CA14 (0.87) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL12934879 0.90 CA14 (0.81) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL3297024 0.90 CA14 (0.81) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL13522675 0.90 CA14 (0.81) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL5464993 0.89 CA14 (0.80) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL25756499 0.88 CA14 (0.78) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL10182494 0.88 CA14 (0.78) CA14ALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL10231797 0.88 CA14 (0.78) CA14ALDH1A1SMN1; SMN2POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045027-A1 Adjuvant GLAXO GROUP LIMITED (GB) 2011-02-24 US disclosed
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-04 US disclosed
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
WO-2009129385-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO 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 (3 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-20110045027-A1 Adjuvant TLR3, TLR9, TLR7 CA14 3855/4885ALDH1A1 4637/4885SMN1; SMN2 1195/4885
US-20090285881-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 CA14 2685/4885ALDH1A1 4724/4885SMN1; SMN2 2586/4885
US-20100055168-A1 CATIONIC LIPIDS AND USES THEREOF LIPA, SGMS2, SGMS1 CA14 2685/4885ALDH1A1 4724/4885SMN1; SMN2 2586/4885

“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.