SCHEMBL3086762

SCHEMBL3086762

NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
POLB P06746 2/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
BRD4 O60885 1/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL1028840 0.85 CA1 (0.71) CA1CA2POLBKMT2AMEN1
SCHEMBL7501950 0.84 CA1 (0.81) CA1CA2POLBKMT2AMEN1
SCHEMBL4573407 0.84 HPGD (0.74) CA1CA2POLBKMT2AMEN1
SCHEMBL9320585 0.84 POLB (0.63) CA1CA2POLBKMT2AMEN1
SCHEMBL14057926 0.84 MAPT (0.74) CA1CA2POLBKMT2AMEN1
SCHEMBL6318007 0.84 HPGD (0.74) CA1CA2POLBKMT2AMEN1
SCHEMBL5452240 0.83 TMPRSS6 (0.73) CA1CA2POLBKMT2AMEN1
SCHEMBL3081178 0.83 MEN1 (0.65) CA1CA2POLBKMT2AMEN1
SCHEMBL15480542 0.83 HDAC3 (0.69) CA1CA2POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL5797806 0.82 CA1 (0.79) CA1CA2POLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 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 (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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS CA1 3622/4885CA2 2641/4885POLB 760/4885

“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.