SCHEMBL4854968

SCHEMBL4854968

COc1cc(Cl)ccc1NS(=O)(=O)c1cccs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.63
CCR2 P41597 5/20 0.60
TP53 P04637 1/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KMT2A Q03164 5/20 0.53
TNF P01375 1/20 0.53
MAPK1 P28482 1/20 0.53
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.53
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL7573912 0.83 CCR2 (0.70) ALDH1A1CCR2MAPTHTTNPSR1
SCHEMBL7571186 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TP53NPC1TSHR
SCHEMBL9930953 0.80 CCR2 (0.64) ALDH1A1CCR2MAPTHTTNPSR1
SCHEMBL6362814 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2TP53MAPTHTT
SCHEMBL29684778 0.78 CCR2 (0.57) ALDH1A1SMN1; SMN2CCR2TP53MAPT
SCHEMBL8752483 0.78 ERBB2 (0.62) ALDH1A1SMN1; SMN2CCR2TP53MAPT
SCHEMBL9931292 0.78 CCR2 (0.69) ALDH1A1SMN1; SMN2CCR2TP53
SCHEMBL18104339 0.77 KMT2A (0.76) ALDH1A1SMN1; SMN2TP53MAPTHTT
SCHEMBL21771101 0.77 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TP53MAPTHTT
SCHEMBL7571540 0.77 SMN1; SMN2 (0.80) ALDH1A1SMN1; SMN2CCR2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885SMN1; SMN2 3562/4885CCR2 4304/4885

“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.