SCHEMBL4108255

SCHEMBL4108255

C=CCOC(=O)C=C(Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
RORC P51449 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
APP P05067 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
SCHEMBL4108252 1.00 DPP4 (0.35) DPP4SMN1; SMN2MAPTALDH1A1MTNR1A
SCHEMBL22484264 0.89 DPP4 (0.36) DPP4SMN1; SMN2MAPTALDH1A1MTNR1A
SCHEMBL30136598 0.87 MTNR1A (0.38) DPP4SMN1; SMN2MTNR1AMTNR1BRORC
SCHEMBL2853346 0.87 MTNR1A (0.38) DPP4SMN1; SMN2MTNR1AMTNR1BRORC
SCHEMBL2853339 0.87 MTNR1A (0.38) DPP4SMN1; SMN2MTNR1AMTNR1BRORC
SCHEMBL3801151 0.73 MAPT (0.39) DPP4MAPTALDH1A1CACNA1BAPBA1
SCHEMBL3801146 0.73 MAPT (0.39) DPP4MAPTALDH1A1CACNA1BAPBA1
SCHEMBL29738303 0.72 NPSR1 (0.34) DPP4SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL25634556 0.72 NPSR1 (0.34) DPP4SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL4112028 0.72 SMN1; SMN2 (0.43) DPP4SMN1; SMN2MAPTALDH1A1

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-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US claimed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 WO claimed
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 US disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 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 (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-20090192326-A1 Preparation of sitagliptin intermediate DPP4, DPP7, DPP3 DPP4 1/4885SMN1; SMN2 432/4885MAPT 3744/4885

“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.