SCHEMBL4994205

SCHEMBL4994205

O=C(O)N(CCO)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.38
FFAR2 O15552 1/20 0.37
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC1 Q13547 2/20 0.36
USP2 O75604 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4539692 0.84 TRPM8 (0.40) GAATSHRTRPM8FFAR2LMNA
SCHEMBL4536011 0.84 GAA (0.39) GAATSHRTRPM8FFAR2LMNA
SCHEMBL17397408 0.80 TRPM8 (0.38) GAATSHRTRPM8FFAR2LMNA
SCHEMBL18764698 0.80 ALDH1A1 (0.41) GAATSHRTRPM8FFAR2LMNA
SCHEMBL27888865 0.78 ARG1 (0.43) GAATSHRTRPM8FFAR2FFAR1
SCHEMBL27888861 0.78 ARG1 (0.43) GAATSHRTRPM8FFAR2FFAR1
SCHEMBL4994295 0.77 TRPM8 (0.40) GAATSHRTRPM8FFAR2LMNA
SCHEMBL1991486 0.77 SCN1A (0.41) TSHRTRPM8FFAR2LMNAFFAR1
SCHEMBL9834300 0.75 ALDH1A1 (0.42) TSHRTRPM8FFAR2LMNAFFAR1
SCHEMBL16180417 0.75 LMNA (0.43) TSHRTRPM8FFAR2LMNAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419961-B2 9a-azalides with anti-inflammatory activity ZAMBON S.P.A. (IT) 2008-09-02 US disclosed
US-20060166904-A1 9a-azalides with anti-inflammatory activity ZAMBON GROUP S.P.A. (IT) 2006-07-27 US disclosed
EP-1556397-B1 9A-AZALIDES WITH ANTI-INFLAMMATORY ACTIVITY ZAMBON SPA (IT) 2006-03-08 EP disclosed
EP-1556397-A1 9A-AZALIDES WITH ANTI-INFLAMMATORY ACTIVITY ZAMBON GROUP S.p.A. (IT) 2005-07-27 EP disclosed
WO-2004039821-A1 9A-AZALIDES WITH ANTI-INFLAMMATORY ACTIVITY ZAMBON GROUP S.P.A. (IT) 2004-05-13 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 (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-20060166904-A1 9a-azalides with anti-inflammatory activity MPO, PDE9A, DPP9 GAA 792/4885TSHR 4432/4885TRPM8 2918/4885

“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.