SCHEMBL30664584

SCHEMBL30664584

C[C@H](NC(=O)c1ccccc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
MLYCD O95822 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 4/20 0.49
CTRB1 P17538 3/20 0.49
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC1A2 P43004 1/20 0.46
HDAC1 Q13547 2/20 0.45
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL30771879 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL31125745 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL2582084 0.84 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1NPSR1LMNAMEN1
SCHEMBL2582091 0.84 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1NPSR1LMNAMEN1
SCHEMBL13314540 0.83 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL24859803 0.82 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL20583509 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL26110369 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA
SCHEMBL8777208 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL22983337 0.80 LMNA (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240091234-A1 TREATMENT OF B-CELL MALIGNANCIES BY A COMBINATION JAK AND PI3K INHIBITORS INCYTE CORPORATION 2024-03-21 US disclosed
EP-4275756-A2 BIPYRAZOLE DERIVATIVES AS JAK INHIBITORS Incyte Holdings Corporation (US) 2023-11-15 EP 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-20240091234-A1 TREATMENT OF B-CELL MALIGNANCIES BY A COMBINATION JAK AND PI3K INHIBITORS JAK2, JAK1, BTK SMN1; SMN2 4762/4885ALDH1A1 4008/4885RAB9A 1150/4885

“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.