SCHEMBL23461782

SCHEMBL23461782

O=C1CCc2c(ccc3c2OC(F)(F)O3)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ CA9 Q16790 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ SRD5A1 P18405 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MMP12 P39900 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ MAPT P10636 2/20 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
SCHEMBL23461654 0.75 GRIA1 (0.38) NOTUMMAPTALDH1A1HTT
SCHEMBL4890586 0.71 KIF11 (0.58) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL9626749 0.68 PDE4D (0.38) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL9626819 0.67 PKM (0.39) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL4596493 0.66 NOTUM (0.47) KIF11NPC1RAB9ANOTUMPIK3CA
SCHEMBL4891714 0.66 KIF11 (0.49) KIF11NPC1RAB9ANOTUMPIK3CA
SCHEMBL25432040 0.66 SRD5A1 (0.41) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL3593984 0.64 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL24427464 0.64 PKM (0.41) KIF11NPC1MAPK13MAPK12MAPK11
SCHEMBL15463994 0.64 KIF11 (0.40) KIF11NPC1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2022-12-22 — — US disclosed
US-20220402925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB LLC (US) 2022-12-22 — — US disclosed
EP-4069216-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS Flatley Discovery Lab, LLC (US) 2022-10-12 — — EP disclosed
WO-2021113795-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC (US) 2021-06-10 — — WO 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-20220402925-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, SERPINB1 KIF11 2359/4885NPC1 21/4885MAPK13 4206/4885

“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.

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