SCHEMBL25025548

SCHEMBL25025548

CC(C)(C)OC(=O)Nc1c[nH]c2cc(F)c(CCO)cc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR2B P41595 1/20 0.37
▸ MTNR1A P48039 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KCNQ4 P56696 1/20 0.33
▸ KCNQ5 Q9NR82 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ TACR1 P25103 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33

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
SCHEMBL23168153 0.85 CYP17A1 (0.39) MAPTSMN1; SMN2HTR2BTP53CYP17A1
SCHEMBL31324602 0.85 CYP17A1 (0.39) MAPTSMN1; SMN2HTR2BTP53CYP17A1
SCHEMBL23167620 0.81 AAK1 (0.42) MAPTSMN1; SMN2HTR2BTP53CYP17A1
SCHEMBL30233909 0.79 MAPT (0.41) NPC1MAPTSMN1; SMN2MTNR1ATP53
SCHEMBL25553915 0.79 MAPT (0.41) NPC1MAPTSMN1; SMN2MTNR1ATP53
Hydrochloric Acid SCHEMBL23167212 0.78 CYP17A1 (0.35) MAPTSMN1; SMN2TP53CYP17A1RXFP1
Hydrochloric Acid SCHEMBL30392135 0.78 CYP17A1 (0.35) MAPTSMN1; SMN2TP53CYP17A1RXFP1
SCHEMBL25025551 0.77 MAPT (0.38) NPC1MAPTSMN1; SMN2TP53CYP17A1
SCHEMBL30218688 0.76 GABRA1 (0.44) MAPTSMN1; SMN2MTNR1AMTNR1BRXFP1
SCHEMBL23168132 0.76 NQO2 (0.34) NPC1MAPTSMN1; SMN2MTNR1ACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 — — US disclosed
US-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 — — US disclosed
WO-2023018781-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2023-02-16 — — 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NPC1 859/4885MAPT 3027/4885SMN1; SMN2 2298/4885

“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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