SCHEMBL19574253

SCHEMBL19574253

Cc1ccc(C(C)C)cc1S(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
PTGS1 P23219 2/20 0.48
TRPA1 O75762 1/20 0.48
CACNA1C Q13936 1/20 0.48
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
IDH1 O75874 1/20 0.40
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
POLB P06746 1/20 0.37
PTGS2 P35354 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
SLC9A1 P19634 1/20 0.36

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
SCHEMBL11376991 0.86 LMNA (0.52) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL2869419 0.85 L3MBTL1 (0.43) LMNAALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL11951547 0.84 L3MBTL1 (0.55) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL18894564 0.82 LMNA (0.48) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL393740 0.82 PTGS1 (0.52) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL12545564 0.82 TRPA1 (0.52) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL30026088 0.82 PTGS1 (0.52) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL11951611 0.80 SLC9A1 (0.50) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL10962414 0.78 RNASEH1 (0.52) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL799129 0.78 KAT6A (0.40) LMNAALDH1A1SMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934295-B2 Antimicrobials and methods of making and using same BioVersys AG (CH) 2021-03-02 US disclosed
US-20190211018-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME RIB-X PHARMACEUTICALS, INC. 2019-07-11 US disclosed
WO-2017193023-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME MELINTA THERAPEUTICS, INC. (US) 2017-11-09 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-10934295-B2 Antimicrobials and methods of making and using same LPO, MPO, OAT LMNA 2381/4885PTGS1 767/4885TRPA1 1440/4885
US-20190211018-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME LPO, MPO, OAT LMNA 2381/4885PTGS1 767/4885TRPA1 1440/4885

“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.