SCHEMBL1039744

SCHEMBL1039744

CCN(C(=O)C(=O)O)c1ccon1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.41
KCNA5 P22460 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
TP53 P04637 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL11845267 0.74 TSHR (0.44) TSHRALDH1A1GLAMEN1KMT2A
SCHEMBL19513895 0.70 KCNN4 (0.42) KCNN4KCNA5TRPM8TSHRALDH1A1
SCHEMBL11569306 0.68 TRPM8 (0.36) KCNN4KCNA5TRPM8ALDH1A1ATM
SCHEMBL10917307 0.67 ALDH1A1 (0.70) TSHRALDH1A1GLAMEN1KMT2A
Hydrochloric Acid SCHEMBL14908614 0.67 PTK2 (0.37) ALDH1A1GLARAB9ANPC1MEN1
SCHEMBL28535123 0.66 KCNN4 (0.37) KCNN4KCNA5TRPM8ALDH1A1RAB9A
SCHEMBL2797703 0.65 KCNN4 (0.36) KCNN4KCNA5TRPM8TSHRALDH1A1
SCHEMBL11093748 0.65 KCNN4 (0.36) KCNN4KCNA5TRPM8ALDH1A1ATM
SCHEMBL11610525 0.65 ALDH1A1 (0.50) TSHRALDH1A1GLARAB9ANPC1
SCHEMBL28399251 0.63 ALDH1A1 (0.50) ALDH1A1ATMRAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
EP-2049515-B1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS CHEMOCENTRYX INC (US) 2011-01-26 EP disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 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-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 KCNN4 4707/4885KCNA5 4412/4885TRPM8 379/4885

“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.