SCHEMBL31388985

SCHEMBL31388985

C[C@@H](C[C@@H](F)CI)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CYP2D6 P10635 1/20 0.41
CTSK P43235 9/20 0.40
CTSS P25774 4/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
APLNR P35414 1/20 0.40
CAPN1 P07384 1/20 0.36
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL31388980 0.85 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL31362915 0.83 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL10148280 0.83 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL14124966 0.83 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL28966590 0.83 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL902049 0.79 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL19021911 0.79 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL15110725 0.78 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL25231724 0.78 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL22337395 0.78 CA1 (0.51) CA1CA2CA7CYP2D6CTSK

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-20250066328-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2025-02-27 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-20250066328-A1 PARP7 INHIBITORS PARP1, PARP2, PARP8 CA1 4582/4885CA2 4202/4885CA7 268/4885

“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.