SCHEMBL3465276

SCHEMBL3465276

CCC(N)C1CCCN(S(C)(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.36
FABP6 P51161 1/20 0.36
CYP2C19 P33261 1/20 0.35
GLA P06280 1/20 0.34
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3130056 0.81 DPP4 (0.52) TSHRALDH1A1GAADPP4DPP8
SCHEMBL24267577 0.78 TSHR (0.53) TSHRALDH1A1GAAMAPK1KDM4E
SCHEMBL10232845 0.78 TSHR (0.53) TSHRALDH1A1GAAMAPK1KDM4E
SCHEMBL25939650 0.76 TSHR (0.51) TSHRALDH1A1GAAMAPK1KDM4E
SCHEMBL25091282 0.75 TSHR (0.50) TSHRALDH1A1GAAMAPK1KDM4E
SCHEMBL3465967 0.74 SHBG (0.34) DPP4DPP8DPP9DPP7
SCHEMBL14519190 0.73 TSHR (0.47) TSHRALDH1A1GAAMAPK1KDM4E
SCHEMBL22174785 0.73 TSHR (0.41) TSHRALDH1A1GAADPP4DPP8
SCHEMBL13741699 0.71 TSHR (0.54) TSHRALDH1A1GAAMAPK1KDM4E
SCHEMBL22254707 0.71 SHBG (0.32) DPP4DPP8DPP9DPP7

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
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (2 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 TSHR 1193/4885ALDH1A1 523/4885GAA 3761/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 TSHR 3668/4885ALDH1A1 268/4885GAA 4085/4885

“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.