SCHEMBL21878112

SCHEMBL21878112

COc1ccc(C(OCc2nc3cc(C#N)cnc3n2CCO[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
TSHR P16473 5/20 0.40
TP53 P04637 8/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
THRB P10828 1/20 0.38
POLB P06746 1/20 0.36
NPC1 O15118 4/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGDS O60760 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 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
SCHEMBL21878159 0.88 RAB9A (0.39) RAB9ATSHRTP53MAPTSMN1; SMN2
SCHEMBL21878047 0.86 TSHR (0.41) RAB9ATSHRTP53MAPTSMN1; SMN2
SCHEMBL21878103 0.83 TSHR (0.41) RAB9ATSHRTP53MAPTSMN1; SMN2
SCHEMBL21878217 0.81 TSHR (0.41) RAB9ATSHRTP53MAPTSMN1; SMN2
SCHEMBL21878121 0.81 TSHR (0.38) RAB9ATSHRTP53MAPTSMN1; SMN2
SCHEMBL21878061 0.79 TSHR (0.38) RAB9ATSHRTP53MAPTSMN1; SMN2
SCHEMBL21877949 0.79 RAB9A (0.44) RAB9ATSHRTP53MAPTSMN1; SMN2
SCHEMBL21878144 0.77 LMNA (0.34) RAB9ATP53SMN1; SMN2NPC1LMNA
SCHEMBL21878135 0.76 ADORA2A (0.34) HTTALDH1A1ADORA2A
SCHEMBL21878014 0.74 TP53 (0.39) RAB9ATSHRTP53MAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
US-20220048936-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC (US) 2022-02-17 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 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 (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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 RAB9A 1267/4885TSHR 1451/4885TP53 1417/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS RAB9A 1577/4885TSHR 1437/4885TP53 1117/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS RAB9A 1381/4885TSHR 1635/4885TP53 1286/4885

“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.