SCHEMBL17422835

SCHEMBL17422835

COC(=O)c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
MEN1 O00255 2/20 0.73
AKR1C3 P42330 1/20 0.57
AKR1C1 Q04828 1/20 0.57
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PLK1 P53350 1/20 0.53
NR4A2 P43354 4/20 0.48
TNF P01375 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
PRPS1 P60891 1/20 0.43
ALOX5 P09917 2/20 0.43
TNFSF11 O14788 2/20 0.43
HTR6 P50406 2/20 0.43
PTGS2 P35354 1/20 0.42

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
SCHEMBL16618849 0.87 KMT2A (0.56) KMT2AMEN1AKR1C3AKR1C1LMNA
SCHEMBL19194701 0.86 LMNA (0.71) KMT2AMEN1AKR1C3AKR1C1LMNA
SCHEMBL2886421 0.85 KMT2A (1.00) KMT2AMEN1AKR1C3AKR1C1LMNA
SCHEMBL18824171 0.83 MEN1 (0.59) KMT2AMEN1AKR1C3AKR1C1LMNA
SCHEMBL2886621 0.80 MEN1 (0.65) KMT2AMEN1LMNASMN1; SMN2PLK1
SCHEMBL23219219 0.80 MEN1 (0.58) KMT2AMEN1AKR1C3AKR1C1LMNA
SCHEMBL21274665 0.80 AKR1C3 (0.56) KMT2AMEN1AKR1C3AKR1C1LMNA
SCHEMBL22790247 0.79 KMT2A (0.44) KMT2AMEN1LMNASMN1; SMN2NR4A2
SCHEMBL2887226 0.79 MEN1 (0.73) KMT2AMEN1HTR6
SCHEMBL18824196 0.79 TNFSF11 (0.53) KMT2AMEN1AKR1C3AKR1C1LMNA

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 7 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-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 WO disclosed
WO-2017075694-A1 ANTIBIOTIC COMPOUNDS, PHARMACEUTICAL FORMULATIONS THEREOF AND METHODS AND USES THEREFOR SIMON FRASER UNIVERSITY (CA) 2017-05-11 WO disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 WO 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 KMT2A 4107/4885MEN1 521/4885AKR1C3 515/4885
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 KMT2A 2483/4885MEN1 4611/4885AKR1C3 1002/4885

“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.