SCHEMBL17433409

SCHEMBL17433409

O=C(O)c1cc2ccc(Br)cc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.54
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MCL1 Q07820 3/20 0.46
BCL2 P10415 1/20 0.46
BID P55957 1/20 0.46
HDAC3 O15379 3/20 0.46
HDAC4 P56524 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
ACLY P53396 2/20 0.46
FABP4 P15090 1/20 0.44

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
SCHEMBL4121234 0.84 CCR2 (0.72) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL31599460 0.84 CCR2 (0.72) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL30220543 0.83 CCR2 (0.54) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL24896255 0.83 CCR2 (0.54) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL18537910 0.83 NOD2 (0.67) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL18537908 0.83 ALDH1A1 (0.42) CCR2ALDH1A1LMNAMAPTMCL1
Hydrochloric Acid SCHEMBL4119324 0.82 CCR2 (0.71) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL708960 0.80 HDAC3 (0.53) CCR2ALDH1A1LMNAMAPTHDAC3
SCHEMBL17422830 0.80 LMNA (0.42) ALDH1A1LMNAMAPTHDAC3HDAC4
SCHEMBL17422763 0.80 PPARG (0.44) ALDH1A1LMNAMAPTACLYFABP4

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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2018-11-01 US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 WO 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-20180312493-A1 Antibiotic Compounds, Pharmaceutical Formulations Thereof And Methods And Uses Therefor UGT1A8, CYP2C8, CXCL8 CCR2 3596/4885ALDH1A1 803/4885LMNA 1975/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 CCR2 3346/4885ALDH1A1 2424/4885LMNA 2835/4885

“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.