SCHEMBL22032152

SCHEMBL22032152

Cc1ccc(S(=O)(=O)OCCCCCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.55
RARB P10826 7/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48
TAS2R14 Q9NYV8 2/20 0.47
PSMD10 O75832 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
AKR1C3 P42330 1/20 0.44
SRD5A2 P31213 1/20 0.44
PLA2G4B P0C869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FKBP1A P62942 1/20 0.43
RAB9A P51151 1/20 0.43
ENPP1 P22413 1/20 0.43

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
SCHEMBL9253387 0.88 PSMD10 (0.47) STAT3ALDH1A1MEN1MAPTKMT2A
SCHEMBL5486396 0.86 TP53 (0.57) STAT3RARBKMT2ATDP1PLA2G4B
SCHEMBL29084470 0.86 TP53 (0.57) STAT3RARBKMT2ATDP1PLA2G4B
SCHEMBL829768 0.86 ALDH1A1 (0.50) STAT3ALDH1A1PSMD10TDP1FKBP1A
SCHEMBL6586284 0.85 FKBP1A (0.50) ALDH1A1FKBP1ARAB9A
SCHEMBL7459364 0.85 FKBP1A (0.50) ALDH1A1FKBP1ARAB9A
SCHEMBL8484841 0.85 FKBP1A (0.50) ALDH1A1FKBP1ARAB9A
SCHEMBL8483547 0.85 FKBP1A (0.50) ALDH1A1FKBP1ARAB9A
SCHEMBL8483790 0.85 FKBP1A (0.50) ALDH1A1FKBP1ARAB9A
SCHEMBL10375119 0.85 FKBP1A (0.50) ALDH1A1FKBP1ARAB9A

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-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
EP-3890738-A1 MACROCYCLIC COMPOUND AND USE THEREOF Scohia Pharma, Inc. (JP) 2021-10-13 EP 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 STAT3 204/4885RARB 2010/4885ALDH1A1 730/4885
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF TFAM, KEAP1, CKMT1A; CKMT1B STAT3 242/4885RARB 1832/4885ALDH1A1 714/4885

“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.