SCHEMBL3747829

SCHEMBL3747829

CC(C)(C)OC(=O)N[C@H](C(=O)O)C1CC2CCC(C1)N2Cc1cc(F)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AAK1 Q2M2I8 3/20 0.38
RORC P51449 1/20 0.36
SCN9A Q15858 4/20 0.35
MMP13 P45452 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
PTPN1 P18031 1/20 0.34
ACE P12821 1/20 0.34

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
SCHEMBL3748312 0.91 DPP4 (0.42) DPP4KMT2AL3MBTL1AAK1RORC
SCHEMBL8097461 0.83 DPP4 (0.41) DPP4KMT2AL3MBTL1AAK1RORC
SCHEMBL3741700 0.82 AAK1 (0.40) DPP4KMT2AL3MBTL1AAK1MMP13
SCHEMBL3738242 0.80 KMT2A (0.52) KMT2AL3MBTL1AAK1MMP13ACE
SCHEMBL3748341 0.78 KMT2A (0.36) KMT2AL3MBTL1AAK1SCN9ACTSS
SCHEMBL3747163 0.76 AAK1 (0.41) AAK1SCN9AMMP13CTSSCTSK
SCHEMBL3741594 0.76 MMP13 (0.41) AAK1RORCMMP13
SCHEMBL3745527 0.75 CTSS (0.44) KMT2AL3MBTL1AAK1SCN9ACTSS
SCHEMBL3743402 0.74 CTSS (0.38) KMT2AL3MBTL1AAK1CTSSCTSK
SCHEMBL3744310 0.74 CHRM2 (0.55) KMT2AAAK1MMP13CTSSCTSK

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-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
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

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 DPP4 1/4885KMT2A 3499/4885L3MBTL1 3160/4885

“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.