SCHEMBL22908904

SCHEMBL22908904

CCOC(=O)c1sc2cccc(OC)c2c1-c1nc2cc(C(N)=O)ccc2n1CCn1c(-c2c(C(=O)OCC)sc3cccc(OC)c23)nc2cc(C(N)=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.44
▸ PTGER4 P35408 4/20 0.44
▸ JAK2 O60674 7/20 0.43
▸ JAK1 P23458 7/20 0.43
▸ TYK2 P29597 7/20 0.43
▸ JAK3 P52333 7/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ SIRT1 Q96EB6 2/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL29663880 1.00 SIRT2 (0.44) SIRT2PTGER4JAK2JAK1TYK2
SCHEMBL24771860 0.97 SIRT2 (0.42) SIRT2PTGER4JAK2JAK1TYK2
SCHEMBL22909077 0.93 JAK2 (0.43) SIRT2PTGER4JAK2JAK1TYK2
SCHEMBL22909073 0.91 JAK2 (0.46) SIRT2PTGER4JAK2JAK1TYK2
SCHEMBL22908987 0.91 JAK2 (0.48) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL24772450 0.89 KDM4E (0.51) SIRT2PTGER4JAK2JAK1TYK2
SCHEMBL22908954 0.89 JAK2 (0.44) SIRT2PTGER4JAK2JAK1TYK2
SCHEMBL22908951 0.88 HTT (0.46) SIRT2PTGER4JAK2JAK1TYK2
SCHEMBL22908890 0.87 JAK2 (0.45) SIRT2PTGER4JAK2JAK1TYK2
SCHEMBL24771863 0.86 JAK2 (0.44) SIRT2PTGER4JAK2JAK1TYK2

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
EP-3999185-B1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD (AU) 2023-08-30 — — EP disclosed
US-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LTD. (AU) 2022-12-08 — — US disclosed
WO-2021009365-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LIMITED (AU) 2021-01-21 — — 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-20220389032-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING STING1, CGAS, MAVS SIRT2 2957/4885PTGER4 508/4885JAK2 1293/4885

“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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