SCHEMBL21877995

SCHEMBL21877995

COc1ccc(C(OCc2nc3cncnc3n2CCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.43
CYP3A4 P08684 13/20 0.43
CYP2C19 P33261 12/20 0.43
CYP2C9 P11712 10/20 0.43
USP2 O75604 8/20 0.43
ALDH1A1 P00352 8/20 0.43
TSHR P16473 7/20 0.43
CYP2D6 P10635 6/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
LMNA P02545 4/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HIF1A Q16665 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL21878012 0.94 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL21877989 0.90 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL21878042 0.88 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL21877945 0.87 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL21877979 0.86 TP53 (0.39) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL21878047 0.86 TSHR (0.41) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL21878014 0.85 TP53 (0.39) CYP1A2CYP3A4CYP2C19TSHRCYP2D6
SCHEMBL21878125 0.85 CYP3A4 (0.39) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL21878070 0.85 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19CYP2C9USP2
SCHEMBL21878062 0.83 RAB9A (0.43) CYP1A2CYP3A4CYP2C19TSHRCYP2D6

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-11883420-B2 Sting agonists for treating bladder cancer and solid tumors Venenum Biodesign, LLC (US) 2024-01-30 US disclosed
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-20210290645-A1 STING AGONISTS FOR TREATING BLADDER CANCER AND SOLID TUMORS Venenum Biodesign, LLC (US) 2021-09-23 US disclosed
US-11110106-B2 Sting agonists for treating bladder cancer and solid tumors Venenum Biodesign, LLC (US) 2021-09-07 US disclosed
US-20210060041-A1 STING AGONISTS FOR TREATING BLADDER CANCER AND SOLID TUMORS Venenum Biodesign, LLC (US) 2021-03-04 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 (7 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 CYP1A2 3470/4885CYP3A4 3150/4885CYP2C19 3946/4885
US-20210290645-A1 STING AGONISTS FOR TREATING BLADDER CANCER AND SOLID TUMORS STING1, CGAS, TBK1 CYP1A2 4509/4885CYP3A4 4503/4885CYP2C19 4268/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS CYP1A2 3075/4885CYP3A4 2736/4885CYP2C19 3872/4885
US-11883420-B2 Sting agonists for treating bladder cancer and solid tumors STING1, CGAS, TBK1 CYP1A2 4509/4885CYP3A4 4503/4885CYP2C19 4268/4885
US-20210060041-A1 STING AGONISTS FOR TREATING BLADDER CANCER AND SOLID TUMORS STING1, CGAS, TBK1 CYP1A2 4509/4885CYP3A4 4503/4885CYP2C19 4268/4885
US-11110106-B2 Sting agonists for treating bladder cancer and solid tumors STING1, CGAS, TBK1 CYP1A2 4509/4885CYP3A4 4503/4885CYP2C19 4268/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS CYP1A2 3244/4885CYP3A4 3032/4885CYP2C19 3883/4885

“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.