SCHEMBL3741702

SCHEMBL3741702

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2CCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 1/20 0.35
BTK Q06187 1/20 0.33
GFER P55789 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CCR5 P51681 1/20 0.32
CTSL P07711 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
NFKB1 P19838 1/20 0.31

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
SCHEMBL3748341 0.90 KMT2A (0.36) KMT2AL3MBTL1ELANEBTKGFER
SCHEMBL13078880 0.83 ELANE (0.34) KMT2AL3MBTL1ELANEBTKGFER
SCHEMBL8079018 0.79 CHRM1 (0.54) ELANEBTKGFERAAK1CA12
SCHEMBL13045269 0.78 HDAC4 (0.37) KMT2AL3MBTL1
SCHEMBL3748312 0.78 DPP4 (0.42) KMT2AL3MBTL1AAK1SCN9A
SCHEMBL3743376 0.77 KMT2A (0.38) KMT2AL3MBTL1ELANEBTKAAK1
SCHEMBL894936 0.76 CHRM2 (0.38) KMT2AL3MBTL1ELANEBTKGFER
SCHEMBL10026719 0.76 CHRM2 (0.38) KMT2AL3MBTL1ELANEBTKGFER
SCHEMBL14831257 0.75 AAK1 (0.47) KMT2ABTKAAK1CTSSCTSK
SCHEMBL21201991 0.75 AAK1 (0.47) KMT2ABTKAAK1CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 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 (1 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 KMT2A 3499/4885L3MBTL1 3160/4885ELANE 1926/4885

“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.