SCHEMBL30919987

SCHEMBL30919987

O=C(O)C[C@H](Nc1ccccn1)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PIM1 P11309 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
FLT3 P36888 1/20 0.43
PIM3 Q86V86 1/20 0.43

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
SCHEMBL17234128 1.00 FDPS (0.46) FDPSGAANPC1RAB9APKM
SCHEMBL30919980 1.00 FDPS (0.46) FDPSGAANPC1RAB9APKM
SCHEMBL17234397 1.00 FDPS (0.46) FDPSGAANPC1RAB9APKM
SCHEMBL18553322 1.00 FDPS (0.46) FDPSGAANPC1RAB9APKM
SCHEMBL30919964 0.85 POLB (0.49) FDPSGAANPC1RAB9APKM
SCHEMBL18553327 0.85 POLB (0.49) FDPSGAANPC1RAB9APKM
SCHEMBL17234448 0.85 POLB (0.49) FDPSGAANPC1RAB9APKM
SCHEMBL30920005 0.85 POLB (0.49) FDPSGAANPC1RAB9APKM
SCHEMBL17234444 0.85 POLB (0.49) FDPSGAANPC1RAB9APKM
SCHEMBL18190263 0.81 ALDH1A1 (0.46) FDPSGAANPC1RAB9APKM

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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 FDPS 442/4885GAA 1128/4885NPC1 1141/4885

“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.