SCHEMBL29640240

SCHEMBL29640240

CC(C)OC(=O)[C@](CC(C)(C)C)(NC(=O)OCc1ccccc1)c1ccc2ncccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.37
▸ CTSS P25774 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL21112612 0.89 HDAC1 (0.45) HDAC1SCN9AALDH1A1SMN1; SMN2NPC1
SCHEMBL21112607 0.89 HDAC1 (0.45) HDAC1SCN9AALDH1A1SMN1; SMN2NPC1
SCHEMBL20907560 0.88 MEN1 (0.37) SCN9ASMN1; SMN2MEN1KMT2AAAK1
SCHEMBL28407708 0.88 MEN1 (0.37) SCN9ASMN1; SMN2MEN1KMT2AAAK1
SCHEMBL29640241 0.88 MEN1 (0.37) SCN9ASMN1; SMN2MEN1KMT2AAAK1
SCHEMBL23114825 0.87 MEN1 (0.38) HDAC1SCN9AMEN1KMT2AAAK1
SCHEMBL20907561 0.87 PLAU (0.39) SCN9AMEN1KMT2AAAK1CTSS
SCHEMBL28402028 0.87 PLAU (0.39) SCN9AMEN1KMT2AAAK1CTSS
SCHEMBL20907699 0.86 MEN1 (0.36) SCN9AMEN1KMT2AAAK1CTSS
SCHEMBL28405383 0.86 MEN1 (0.36) SCN9AMEN1KMT2AAAK1CTSS

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-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 — — 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-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN HDAC1 79/4885SCN9A 3321/4885ALDH1A1 1247/4885

“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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