SCHEMBL23977388

SCHEMBL23977388

Cc1ccc(S(=O)(=O)OCc2ccc(Br)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 3/20 0.36
STAT3 P40763 1/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL25909525 0.88 STAT3 (0.39) ALDH1A1KDM4EKMT2ASTAT3CA1
SCHEMBL31723841 0.83 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL25909219 0.82 HRH3 (0.40) ALDH1A1MAPTKDM4ESTAT3CA1
SCHEMBL25972575 0.81 STAT3 (0.38) ALDH1A1KMT2ASTAT3CA1CA9
SCHEMBL31723903 0.81 MBOAT4 (0.37) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL23977288 0.80 CA1 (0.35) ALDH1A1STAT3CA1CA9CA12
SCHEMBL2130361 0.79 CA12 (0.37) ALDH1A1SMN1; SMN2KMT2ASTAT3EGFR
SCHEMBL30047078 0.79 GBA1 (0.40) ALDH1A1KDM4E
SCHEMBL1126532 0.79 GBA1 (0.40) ALDH1A1KDM4E
SCHEMBL7909564 0.77 CA2 (0.54) ALDH1A1MAPTKDM4EKMT2ASTAT3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
US-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 US disclosed
EP-4143172-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES Syddansk Universitet (DK) 2023-03-08 EP disclosed
US-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 US disclosed
EP-4005637-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 EP disclosed
WO-2021219813-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2021-11-04 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 ALDH1A1 1010/4885MAPT 1485/4885SMN1; SMN2 670/4885
US-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ALDH1A1 1563/4885MAPT 772/4885SMN1; SMN2 71/4885

“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.