SCHEMBL24534514

SCHEMBL24534514

CCCc1ccc(C(=O)NC(C)(CC)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 2/20 0.57
▸ GAA P10253 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ CTDSP1 Q9GZU7 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCOLN3 Q8TDD5 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL24534839 0.91 PLK1 (0.59) PLK1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL24534804 0.89 RARB (0.54) PLK1ALDH1A1KMT2ATDP1TRPV1
SCHEMBL24534681 0.83 HDAC1 (0.53) GAAPOLBALDH1A1L3MBTL1NPC1
SCHEMBL14393389 0.82 PLK1 (0.66) PLK1GAAPOLBCTDSP1ALDH1A1
SCHEMBL28456818 0.82 POLB (0.57) GAAPOLBALDH1A1NPC1RAB9A
SCHEMBL24534746 0.78 PPARG (0.53) PLK1GAANPC1RAB9AKMT2A
SCHEMBL17104371 0.78 EPHX2 (0.48) RAB9AKMT2ALMNA
SCHEMBL24534558 0.77 HDAC1 (0.50) POLBALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL12471403 0.76 POLB (0.54) GAAPOLBL3MBTL1NPC1RAB9A
SCHEMBL24534819 0.75 ATM (0.56) GAAPOLBALDH1A1KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT Yonsei University, University - Industry Foundation (UIF) (KR) 2022-06-23 — — 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 (1 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-20220193041-A1 NOVEL COMPOUND AND METHOD FOR PREVENTING OR TREATING OF RESPIRATORY DISEASES COMPRISING THE SAME AS AN ACTIVE INGREDIENT EPX, CFTR, MPO PLK1 3407/4885GAA 148/4885POLB 2417/4885

“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.

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