SCHEMBL3724110

SCHEMBL3724110

COC(=O)[C@H](C)N(I)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.39
CA12 O43570 2/20 0.39
DGAT1 O75907 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP7 P55210 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 1/20 0.32
PIK3CD O00329 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGB7 P26010 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL3724107 1.00 CA14 (0.39) CA14CA12DGAT1SMN1; SMN2ALDH1A1
SCHEMBL27985727 0.98 CA12 (0.38) CA14CA12DGAT1SMN1; SMN2ALDH1A1
SCHEMBL16634467 0.81 MEN1 (0.33) CA1CA2CA7HDAC1HDAC2
SCHEMBL18796420 0.81 CA14 (0.41) CA14CA12DGAT1SMN1; SMN2ALDH1A1
SCHEMBL7021061 0.81 CA14 (0.41) CA14CA12DGAT1SMN1; SMN2ALDH1A1
SCHEMBL30111551 0.81 MEN1 (0.33) CA1CA2CA7HDAC1HDAC2
SCHEMBL9455522 0.81 CA14 (0.41) CA14CA12DGAT1SMN1; SMN2ALDH1A1
SCHEMBL9797670 0.78 CA14 (0.39) CA14CA12DGAT1SMN1; SMN2ALDH1A1
SCHEMBL9797673 0.78 CA14 (0.39) CA14CA12DGAT1SMN1; SMN2ALDH1A1
SCHEMBL5204515 0.78 CA14 (0.39) CA14CA12DGAT1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-20040127423-A1 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2004-07-01 US disclosed
EP-1144365-B1 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2004-03-17 EP disclosed
US-20030195157-A1 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2003-10-16 US disclosed
EP-1144365-A3 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
US-6573295-B2 Treating proliferative diseases, cancer, restenosis, osteoporosis, inflammation, aIlergies, or cardiovascular disease. ARIAD PHARMACEUTICALS, INC. 2003-06-03 US disclosed
US-6482852-B2 UE TREATING PROLIFERATIVE DISEASE, CANCER, RESTENOSIS, OSTEOPOROSIS, INFLAMMATION, ALLERGIES, OR CARDIOVASCULAR DISEASE; INHIBITION OF SH2-MEDIATED SIGNALING ARIAD PHARMACEUTICALS, INC. 2002-11-19 US disclosed
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling ARIAD PHARMACEUTICALS, INC. 2002-09-26 US disclosed
US-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof SHAKESPEARE WILLIAM C (US) 2002-05-23 US disclosed
EP-1144365-A2 INHIBITORS OF ALPHA-4 BETA-1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-10-17 EP disclosed
EP-1129068-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITION CONTAINING THEM AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-05 EP disclosed
EP-1064289-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 2001-01-03 EP disclosed
WO-2000037429-A2 INHIBITORS OF α4β1 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-06-29 WO disclosed
WO-2000027802-A1 BICYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM & USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2000-05-18 WO disclosed
WO-1999047529-A1 HETEROCYCLIC SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-09-23 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 (6 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-20020062031-A1 Bicyclic signal transduction inhibitors, compositions containing them & uses thereof ACP1, SRC, PPM1G CA14 4771/4885CA12 4707/4885DGAT1 3659/4885
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR CA14 2409/4885CA12 2520/4885DGAT1 1739/4885
US-20030195157-A1 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions GLP1R, IAPP, GIPR CA14 2522/4885CA12 2831/4885DGAT1 1834/4885
US-20040127423-A1 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions GLP1R, IAPP, GIPR CA14 2522/4885CA12 2831/4885DGAT1 1834/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR CA14 2409/4885CA12 2520/4885DGAT1 1739/4885
US-20020137941-A1 Ue treating proliferative disease, cancer, restenosis, osteoporosis, inflammation, allergies, or cardiovascular disease; inhibition of SH2-mediated signaling GRB2, LCK, PTK2 CA14 4845/4885CA12 4850/4885DGAT1 2710/4885

“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.