SCHEMBL3465273

SCHEMBL3465273

CS(=O)(=O)N1CCCC([CH]CC(N)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.41
CYP2C19 P33261 2/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL3130052 0.81 TP53 (0.44) TSHRALDH1A1GAACYP2C19POLB
SCHEMBL27845946 0.80 GAA (0.43) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL3465966 0.78 SMN1; SMN2 (0.39) ALDH1A1MAPK1POLB
SCHEMBL3466906 0.76 ALDH1A1 (0.35) ALDH1A1MAPK1POLBKMT2AMEN1
SCHEMBL3465076 0.75 ALDH1A1 (0.34) ALDH1A1MAPK1GLAPOLBHSD17B10
SCHEMBL1299600 0.74 TSHR (0.45) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL31263394 0.74 TSHR (0.47) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL31263721 0.74 TSHR (0.47) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL21670253 0.71 TSHR (0.62) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL5022233 0.71 TSHR (0.62) TSHRALDH1A1MAPK1GAACYP2C19

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 523/4885MAPK1 973/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 TSHR 3668/4885ALDH1A1 268/4885MAPK1 410/4885

“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.