Sugi Predict

Sugi Predict / Compounds / SCHEMBL8237255

SCHEMBL8237255

SCHEMBL8237255

[C-]#[N+][C@H]1C[C@@H](C(=O)N2CCC(F)(F)C2)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.36
▸ NR1H2 P55055 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ TGM2 P21980 1/20 0.32
▸ PREP P48147 1/20 0.32
▸ DPP4 P27487 3/20 0.32
▸ ACACB O00763 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ FAP Q12884 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ PIK3R1 P27986 3/20 0.30
▸ PIK3CA P42336 3/20 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
SCHEMBL8272239 0.83 PREP (0.46) HSD17B10NR1H2TGM2PREPHPGD
SCHEMBL8240573 0.81 HSD17B10 (0.43) HSD17B10NR1H2TGM2PREPDPP4
SCHEMBL4909265 0.80 TGM2 (0.39) HSD17B10NR1H2EPHX2TGM2DPP4
SCHEMBL13436646 0.80 TGM2 (0.39) HSD17B10NR1H2EPHX2TGM2DPP4
SCHEMBL4920145 0.80 HSD17B10 (0.36) HSD17B10EPHX2TGM2DPP4ACACB
SCHEMBL8426364 0.80 TGM2 (0.39) HSD17B10NR1H2EPHX2TGM2DPP4
SCHEMBL8426363 0.80 HSD17B10 (0.36) HSD17B10EPHX2TGM2DPP4ACACB
SCHEMBL8272246 0.80 RECQL (0.50) HSD17B10NR1H2TGM2PREPHPGD
SCHEMBL3839829 0.78 DPP4 (0.35) HSD17B10NR1H2EPHX2TGM2DPP4
SCHEMBL2709721 0.76 HSD17B10 (0.39) HSD17B10NR1H2PREP

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-7671076-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-03-02 — — US disclosed
US-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2008-05-22 — — US disclosed
US-7348346-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-03-25 — — US disclosed
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2005-09-29 — — US disclosed
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-22 — — 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 (3 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-20080119464-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 HSD17B10 411/4885NR1H2 1063/4885EPHX2 2623/4885
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 HSD17B10 411/4885NR1H2 1063/4885EPHX2 2623/4885
US-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 HSD17B10 411/4885NR1H2 1063/4885EPHX2 2623/4885

“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.