SCHEMBL22360773

SCHEMBL22360773

CN1C[C@H](F)C[C@@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ACE P12821 1/20 0.32
PIN1 Q13526 1/20 0.31
PEPD P12955 1/20 0.31
XPNPEP1 Q9NQW7 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL755185 1.00 ATM (0.38) ATMDPP4DPP8DPP9ACE
SCHEMBL17995266 1.00 ATM (0.38) ATMDPP4DPP8DPP9ACE
SCHEMBL19540491 1.00 ATM (0.38) ATMDPP4DPP8DPP9ACE
Hydrochloric Acid SCHEMBL1493679 0.98 ATM (0.37) ATMDPP4DPP8DPP9ACE
SCHEMBL17641844 0.83 PIN1 (0.33) ATMDPP4DPP8DPP9PIN1
SCHEMBL21515921 0.83 PIN1 (0.33) ATMDPP4DPP8DPP9PIN1
SCHEMBL13165479 0.83 PIN1 (0.33) ATMDPP4DPP8DPP9PIN1
SCHEMBL8915827 0.83 PIN1 (0.33) ATMDPP4DPP8DPP9PIN1
SCHEMBL10140519 0.81 DPP4 (0.31) DPP4DPP8DPP9PIN1PEPD
SCHEMBL12861032 0.81 PIN1 (0.41) DPP4DPP8DPP9PIN1PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 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-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS ATM 3528/4885DPP4 2492/4885DPP8 929/4885

“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.