SCHEMBL3098746

SCHEMBL3098746

O=C(OCc1ccccc1)N1CC(O)([C@@H]2CCCCN2C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP2C19 P33261 1/20 0.50
FKBP1A P62942 6/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CTRB1 P17538 1/20 0.47
PREP P48147 3/20 0.47
ACE2 Q9BYF1 1/20 0.45

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
SCHEMBL2721261 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL3114029 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL1488503 0.90 FKBP1A (0.50) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL1488515 0.90 FKBP1A (0.50) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL1488666 0.90 FKBP1A (0.50) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL3835409 0.88 ACE2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A
SCHEMBL1488893 0.79 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1488901 0.78 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18089695 0.77 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1488726 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases EXELIXIS, INC. (US) 2014-09-18 US claimed
US-11597699-B2 MEK inhibitors and methods of their use EXELIXIS, INC. (US) 2023-03-07 US disclosed
US-20200283383-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2020-09-10 US disclosed
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE EXELIXIS, INC. 2020-01-30 US disclosed
US-20190144382-A1 MEK Inhibitors and Methods of Their Use EXELIXIS, INC. 2019-05-16 US disclosed
US-20170166523-A9 MEK Inhibitors And Methods Of Their Use EXELIXIS, INC. 2017-06-15 US disclosed
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use EXELIXIS INC (US) 2015-05-21 US disclosed
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases EXELIXIS, INC. (US) 2014-09-18 US disclosed
US-8362002-B2 Azetidines as MEK inhibitors for the treatment of proliferative diseases EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-7803839-B2 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS, INC. (US) 2010-09-28 US disclosed
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol EXELIXIS INC. (US) 2009-06-18 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 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 (9 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-20170166523-A9 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 SMN1; SMN2 3819/4885NPC1 2673/4885RAB9A 904/4885
US-20200283383-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 SMN1; SMN2 3755/4885NPC1 2632/4885RAB9A 872/4885
US-20150141399-A1 MEK Inhibitors And Methods Of Their Use BRAF, NRAS, MAP3K1 SMN1; SMN2 3819/4885NPC1 2673/4885RAB9A 904/4885
US-20090156576-A1 anticarcinogenic agent; 1-({3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-carbonyl)azetidin-3-ol NRAS, BRAF, KRAS SMN1; SMN2 3569/4885NPC1 1452/4885RAB9A 899/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS SMN1; SMN2 3846/4885NPC1 1514/4885RAB9A 1196/4885
US-20190144382-A1 MEK Inhibitors and Methods of Their Use BRAF, NRAS, MAP3K20 SMN1; SMN2 3755/4885NPC1 2632/4885RAB9A 872/4885
US-20140275527-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS SMN1; SMN2 2697/4885NPC1 1367/4885RAB9A 209/4885
US-11597699-B2 MEK inhibitors and methods of their use BRAF, NRAS, MAP3K20 SMN1; SMN2 3755/4885NPC1 2632/4885RAB9A 872/4885
US-20200031770-A1 MEK INHIBITORS AND METHODS OF THEIR USE BRAF, NRAS, MAP3K20 SMN1; SMN2 3755/4885NPC1 2632/4885RAB9A 872/4885

“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.