SCHEMBL2443355

SCHEMBL2443355

Cc1ccc(S(=O)(=O)OC[C@@H]2CCCC2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ENPP3 O14638 2/20 0.37
ENPP1 P22413 2/20 0.37
ENPP2 Q13822 2/20 0.37
ALDH1A1 P00352 3/20 0.36
STAT3 P40763 1/20 0.36
CASP3 P42574 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
RAB9A P51151 1/20 0.35
MMP13 P45452 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL3479184 0.84 TSHR (0.46) POLBENPP3ENPP1ENPP2ALDH1A1
SCHEMBL7231801 0.83 ALDH1A1 (0.37) POLBALDH1A1STAT3MEN1KMT2A
SCHEMBL6639675 0.81 MAOA (0.43) POLBENPP3ENPP1ENPP2STAT3
SCHEMBL27385149 0.79 ALDH1A1 (0.40) POLBENPP3ENPP1ENPP2ALDH1A1
SCHEMBL14368963 0.78 MAOA (0.43) POLBENPP3ENPP1ENPP2ALDH1A1
SCHEMBL21987588 0.77 ALDH1A1 (0.38) POLBENPP3ENPP1ENPP2ALDH1A1
SCHEMBL12162454 0.76 STAT3 (0.42) POLBENPP3ENPP1ENPP2ALDH1A1
SCHEMBL31282646 0.76 KMT2A (0.47) MEN1KMT2AMMP13
SCHEMBL25318764 0.75 MAOB (0.45) ENPP3ENPP1ENPP2ALDH1A1STAT3
SCHEMBL990946 0.75 DPP4 (0.39) ENPP3ENPP1ENPP2ALDH1A1STAT3

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-8722727-B2 Antifungal agents Seynix, Inc. (US) 2014-05-13 US disclosed
US-20110224228-A1 ANTIFUNGAL AGENTS MERCK SHARP & DOHME CORP. (US) 2011-09-15 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-20110224228-A1 ANTIFUNGAL AGENTS GMDS, GBA3, UGGT1 POLB 3073/4885ENPP3 84/4885ENPP1 60/4885

“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.