SCHEMBL27098041

SCHEMBL27098041

C[C@H]1C[C@@H](OCCCOCC(F)(F)COC2CN(C(=O)OCc3ccccc3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ TMEM97 Q5BJF2 2/20 0.39
▸ SIGMAR1 Q99720 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ RORC P51449 2/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36

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
SCHEMBL27098034 0.86 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL27098042 0.81 F13A1 (0.38) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL27098085 0.80 NR1H2 (0.38) RORCMEN1KMT2A
SCHEMBL27098032 0.79 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL27098014 0.78 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9APDK1PDK2
SCHEMBL26048837 0.75 TSHR (0.50) SMN1; SMN2NPC1RAB9ATMEM97SIGMAR1
SCHEMBL20233662 0.74 — —
SCHEMBL27098016 0.74 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APDK2TMEM97
SCHEMBL20132907 0.73 PRMT5 (0.45) RORC
SCHEMBL20129209 0.73 L3MBTL1 (0.47) SMN1; SMN2RORCLIPG

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-11912699-B2 Tau-protein targeting compounds and associated ARVINAS OPERATIONS, INC. (US) 2024-02-27 — — 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-11912699-B2 Tau-protein targeting compounds and associated MAPT, VHL, CRBN SMN1; SMN2 1058/4885NPC1 2550/4885RAB9A 1429/4885

“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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