SCHEMBL3465448

SCHEMBL3465448

CS(=O)(=O)c1ncc([CH]C(N)=O)s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL3465178 0.81 MEN1 (0.34) KMT2AMEN1
SCHEMBL3123965 0.75 KDR (0.39) CA1CA2CA4CA5ACA5B
SCHEMBL27845890 0.75 MEN1 (0.36) KMT2AMEN1
SCHEMBL24667434 0.69 HCAR2 (0.55) KMT2AMEN1
SCHEMBL3126373 0.69 ALDH1A1 (0.33)
SCHEMBL20698778 0.68 MLYCD (0.39) KMT2AMEN1
SCHEMBL3439198 0.67 NOS1 (0.43) KMT2AMEN1CA1CA2CA4
SCHEMBL3465404 0.66 CA1 (0.32) CA1CA2CA4
SCHEMBL4164063 0.66 CA1 (0.32) KMT2ACA1CA2CA4CA5A
SCHEMBL3123975 0.66 LOXL2 (0.50)

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 KMT2A 2845/4885MEN1 2604/4885CA1 1081/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 KMT2A 4793/4885MEN1 1895/4885CA1 2206/4885

“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.