SCHEMBL21268751

SCHEMBL21268751

Cc1ccc(S(=O)(=O)OCCn2ccc3ccc(N4CCN(c5cccc6nccn56)CC4)nc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ CYP24A1 Q07973 2/20 0.34
▸ PARP1 P09874 1/20 0.32
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ ADRB2 P07550 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21281588 0.84 F10 (0.33) F10PARP1
SCHEMBL21268750 0.80 F10 (0.39) F10ALDH1A1PARP1KDM4E
SCHEMBL21268775 0.80 LMNA (0.38) ALDH1A1L3MBTL1CYP24A1PARP1
SCHEMBL22822849 0.79 F10 (0.34) F10PARP1
SCHEMBL21268714 0.79 F10 (0.34) F10PARP1
SCHEMBL21268772 0.79 F10 (0.39) F10PARP1
SCHEMBL21285573 0.79 F10 (0.41) F10PARP1
SCHEMBL21274174 0.79 F10 (0.37) F10ALDH1A1PARP1PIK3CAKDM4E
SCHEMBL21274154 0.78 F10 (0.38) F10PARP1
SCHEMBL21274077 0.77 F10 (0.36) F10ALDH1A1PARP1KDM4E

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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3527209-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SPRL (BE) 2019-08-21 — — EP 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 F10 4164/4885ALDH1A1 4838/4885L3MBTL1 4734/4885

“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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