SCHEMBL22032136

SCHEMBL22032136

Cc1ccc(S(=O)(=O)OCCOCCc2ccc(C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA2 P00918 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PSMD10 O75832 1/20 0.42
ENPP1 P22413 1/20 0.40
STAT3 P40763 1/20 0.40
MAPT P10636 1/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.36
PTPN1 P18031 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
SCHEMBL30244540 0.86 CA12 (0.46) CA12CA1CA9CA2CA14
SCHEMBL30244725 0.86 CA12 (0.46) CA12CA1CA9CA2CA14
SCHEMBL22084667 0.86 PSMD10 (0.47) CA12CA1CA9CA2CA14
SCHEMBL22032217 0.84 STAT3 (0.55) CA12CA1CA9CA2PSMD10
SCHEMBL18530411 0.84 ALDH1A1 (0.45) CA12CA1CA9CA2ENPP1
SCHEMBL16898479 0.79 EGFR (0.44) CA12CA1CA9CA2MAPT
SCHEMBL25403855 0.78 STAT3 (0.39) CA12CA1CA9PSMD10STAT3
SCHEMBL20529483 0.78 STAT3 (0.39) CA12CA1CA9PSMD10STAT3
SCHEMBL40180 0.78 STAT3 (0.39) CA12CA1CA9PSMD10STAT3
SCHEMBL15874980 0.78 STAT3 (0.41) CA12CA1CA9PSMD10ENPP1

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-11518763-B2 Macrocyclic compound and use thereof SCOHIA PHARMA, INC. (JP) 2022-12-06 US disclosed
US-11518763-B2 Macrocyclic compound and use thereof SCOHIA PHARMA, INC. (JP) 2022-12-06 US disclosed
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2022-04-21 US disclosed
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2022-04-21 US disclosed
EP-3890738-A1 MACROCYCLIC COMPOUND AND USE THEREOF Scohia Pharma, Inc. (JP) 2021-10-13 EP disclosed
CN-113164468-A Macrocyclic compounds and uses thereof 思可海雅药品公司 2021-07-23 CN disclosed
WO-2020116660-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2020-06-11 WO disclosed
WO-2020116660-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2020-06-11 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 (2 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-11518763-B2 Macrocyclic compound and use thereof TFAM, KEAP1, FASTKD1 CA12 4266/4885CA1 4500/4885CA9 4344/4885
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF TFAM, KEAP1, CKMT1A; CKMT1B CA12 4263/4885CA1 4436/4885CA9 4308/4885

“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.