SCHEMBL4994295

SCHEMBL4994295

O=CCN(C(=O)O)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.40
FFAR2 O15552 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
NR3C1 P04150 1/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN1A P35498 1/20 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
SCHEMBL18764698 0.79 ALDH1A1 (0.41) TRPM8FFAR2LMNAGAATSHR
SCHEMBL4994205 0.77 GAA (0.40) TRPM8FFAR2LMNAGAATSHR
SCHEMBL4536011 0.76 GAA (0.39) TRPM8FFAR2LMNAGAATSHR
SCHEMBL4539692 0.76 TRPM8 (0.40) TRPM8FFAR2LMNAGAATSHR
SCHEMBL16180417 0.74 LMNA (0.43) TRPM8FFAR2LMNATSHRALDH1A1
SCHEMBL9834300 0.74 ALDH1A1 (0.42) TRPM8FFAR2LMNATSHRALDH1A1
SCHEMBL27872472 0.72 GRIK1 (0.40) TRPM8FFAR2LMNAGAATSHR
SCHEMBL17397408 0.72 TRPM8 (0.38) TRPM8FFAR2LMNAGAATSHR
SCHEMBL27872471 0.72 GRIK1 (0.40) TRPM8FFAR2LMNAGAATSHR
SCHEMBL2936251 0.71 FFAR2 (0.49) TRPM8FFAR2LMNAGAATSHR

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 TRPM8 2918/4885FFAR2 1648/4885LMNA 3821/4885

“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.