SCHEMBL21089986

SCHEMBL21089986

CCC(C)NCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
ENPEP Q07075 4/20 0.32
PKM P14618 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIA1 P42261 3/20 0.31

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
SCHEMBL355024 0.88 KDM4E (0.42) KDM4EALDH1A1LMNAL3MBTL1HTT
SCHEMBL354273 0.88 KDM4E (0.42) KDM4EALDH1A1LMNAL3MBTL1HTT
SCHEMBL354272 0.88 KDM4E (0.42) KDM4EALDH1A1LMNAL3MBTL1HTT
SCHEMBL11150394 0.83 PTGS1 (0.32) LMNATDP1PTGS1PDE4ASLC6A6
SCHEMBL1001262 0.80 TP53 (0.40)
SCHEMBL20988191 0.80 LMNA (0.44) KDM4ELMNATDP1MMP1MMP2
SCHEMBL6969058 0.79 LMNA (0.36) KDM4ELMNAPTGS1PDE4ASLC6A6
SCHEMBL19090762 0.78 LMNA (0.37) KDM4EALDH1A1LMNAL3MBTL1HTT
SCHEMBL14241205 0.78 ENPEP (0.33) ENPEP
SCHEMBL14059969 0.77 TP53 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome CELLIX BIO PRIVATE LIMITED (IN) 2021-08-03 US disclosed
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2019-06-13 US 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-11078154-B2 Compositions and methods for the treatment of irritable bowel syndrome SI, SLC10A2, ALPI KDM4E 4840/4885ALDH1A1 2435/4885LMNA 4517/4885
US-20190177267-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME SI, SLC10A2, F5 KDM4E 4472/4885ALDH1A1 2950/4885LMNA 4229/4885

“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.