SCHEMBL3088255

SCHEMBL3088255

NC(=O)c1cccc(NS(=O)(=O)C2CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
ATIC P31939 1/20 0.52
PARP1 P09874 8/20 0.49
PARP10 Q53GL7 7/20 0.49
PARP15 Q460N3 4/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
AAK1 Q2M2I8 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP14 Q460N5 3/20 0.46
OPRM1 P35372 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45

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
SCHEMBL3088515 0.80 HDAC4 (0.50) HSD11B1PARP10CA2ALDH1A1SMN1; SMN2
SCHEMBL3088257 0.80 HTR6 (0.56) HSD11B1MEN1KMT2AAAK1ALDH1A1
SCHEMBL3134368 0.79 HSD11B1 (0.47) HSD11B1MEN1KMT2ACA1CA2
Hydrochloric Acid SCHEMBL18953653 0.79 HTR6 (0.54) HSD11B1MEN1KMT2AAAK1ALDH1A1
SCHEMBL2858017 0.79 ALDH1A1 (0.73) ATICPARP1PARP10PARP15MEN1
SCHEMBL3130660 0.78 HSD11B1 (0.47) HSD11B1MEN1KMT2ACA1CA2
SCHEMBL18953702 0.78 CTPS1 (0.47) HSD11B1AAK1SMN1; SMN2OPRM1HDAC4
SCHEMBL27972215 0.77 KCNK3 (0.52) HSD11B1MEN1KMT2AAAK1ALDH1A1
SCHEMBL23540320 0.77 CTPS1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2OPRM1
SCHEMBL12407118 0.76 LMNA (0.52) MEN1KMT2AAAK1ALDH1A1SMN1; SMN2

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 HSD11B1 2237/4885ATIC 582/4885PARP1 672/4885

“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.