SCHEMBL21268775

SCHEMBL21268775

Cc1ccc(S(=O)(=O)OCCn2ccc3ccc(N4CCN(c5ccccc5C)CC4)nc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ CYP24A1 Q07973 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL21268751 0.80 F10 (0.41) CYP24A1ALDH1A1PARP1L3MBTL1
SCHEMBL21285495 0.78 PARP1 (0.42) LMNAMCOLN3ALDH1A1SMN1; SMN2TSHR
SCHEMBL21268787 0.78 PARP1 (0.42) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL21268761 0.78 NPC1 (0.35) HSD11B1ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL21281500 0.77 ADRA1A (0.45) ADRA1DADRA1AADRA1BPARP1HTR7
SCHEMBL21273954 0.76 PARP1 (0.45) ALDH1A1ADRA1DADRA1AADRA1BPARP1
SCHEMBL21274394 0.76 NPC1 (0.37) LMNAHTTADRA1DADRA1AADRA1B
SCHEMBL21274471 0.75 SMO (0.42) LMNAMCOLN3ADRA1DADRA1AADRA1B
SCHEMBL21273937 0.74 ADRA1A (0.37) ALDH1A1ADRA1DADRA1AADRA1BKMT2A
SCHEMBL21281585 0.73 PARP1 (0.44) LMNAMCOLN3ALDH1A1SMN1; SMN2TSHR

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
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
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN 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 LMNA 445/4885MCOLN3 1136/4885CYP24A1 1488/4885

“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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