SCHEMBL22777966

SCHEMBL22777966

O=C(O)Nc1ccc(C2CC(F)(F)C2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KMT2A Q03164 2/20 0.38
TRPV1 Q8NER1 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DRD4 P21917 1/20 0.36
KCNJ6 P48051 2/20 0.34
KCNJ5 P48544 2/20 0.34
KCNJ3 P48549 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL23612201 0.92 LMNA (0.39) NPC1RAB9AKMT2ATRPV1SMN1; SMN2
SCHEMBL19510415 0.84 TRPV1 (0.44) NPC1RAB9AKMT2ATRPV1SMN1; SMN2
SCHEMBL30089471 0.84 NPC1 (0.39) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL23623186 0.80 SIRT2 (0.45)
SCHEMBL5592090 0.79 MGLL (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22803789 0.78 ESR1 (0.49) NPC1RAB9A
SCHEMBL31548324 0.75 CHRNB2 (0.36) NPC1RAB9AKMT2ATRPV1SMN1; SMN2
SCHEMBL22777989 0.74 NPC1 (0.34) NPC1RAB9ASMN1; SMN2
SCHEMBL23612059 0.74 CRBN (0.33) KMT2AMEN1ALDH1A1
SCHEMBL23622927 0.73 STING1 (0.64) NPC1RAB9AKMT2ATRPV1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-13 US disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 WO disclosed
WO-2021138434-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-07-08 WO disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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 (3 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NPC1 859/4885RAB9A 876/4885KMT2A 3772/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NPC1 830/4885RAB9A 860/4885KMT2A 3713/4885
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NPC1 859/4885RAB9A 876/4885KMT2A 3772/4885

“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.