SCHEMBL25657484

SCHEMBL25657484

CNC(CC(F)F)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
BIRC2 Q13490 1/20 0.32
MME P08473 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
FOLH1 Q04609 1/20 0.31
CA14 Q9ULX7 2/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 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
SCHEMBL31522775 1.00 POLB (0.35) POLBSMN1; SMN2TAS1R3TAS1R1NOS3
Trifluoroacetic Acid SCHEMBL30878141 0.89 PDF (0.34) POLBNOS3NOS1NOS2MME
SCHEMBL8294718 0.81 TAS1R3 (0.36) POLBSMN1; SMN2TAS1R3TAS1R1NOS3
SCHEMBL7159426 0.80 TAS1R3 (0.49) POLBSMN1; SMN2TAS1R3TAS1R1NOS3
SCHEMBL14609391 0.80 TAS1R3 (0.49) POLBSMN1; SMN2TAS1R3TAS1R1NOS3
SCHEMBL8297645 0.80 TAS1R3 (0.49) POLBSMN1; SMN2TAS1R3TAS1R1NOS3
Hydrochloric Acid SCHEMBL28418638 0.78 TAS1R3 (0.47) POLBSMN1; SMN2TAS1R3TAS1R1NOS3
Hydrochloric Acid SCHEMBL28418639 0.78 TAS1R3 (0.47) POLBSMN1; SMN2TAS1R3TAS1R1NOS3
SCHEMBL13127847 0.77 KISS1R (0.31)
SCHEMBL10679659 0.77

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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS POLB 3546/4885SMN1; SMN2 4201/4885TAS1R3 2657/4885

“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.