SCHEMBL3088515

SCHEMBL3088515

NC(=O)c1ccc(NS(=O)(=O)C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 3/20 0.47
SGK1 O00141 1/20 0.45
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CA2 P00918 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
POLB P06746 1/20 0.42
BRPF1 P55201 1/20 0.41
HSD11B1 P28845 1/20 0.41
PARP10 Q53GL7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL8231364 0.86 HDAC4 (0.54) HDAC4ALDH1A1CA2EPHX2NR1H4
SCHEMBL17443302 0.80 HDAC4 (0.46) HDAC4SGK1CA2BRPF1HSD11B1
SCHEMBL3088255 0.80 HSD11B1 (0.57) HDAC4SMN1; SMN2ALDH1A1CA2POLB
SCHEMBL3980159 0.79 CA1 (0.53) HDAC4SMN1; SMN2ALDH1A1SGK1HPGD
SCHEMBL3088517 0.79 SGK1 (0.51) HDAC4ALDH1A1SGK1CA2BRPF1
SCHEMBL18953568 0.79 HDAC4 (0.54) HDAC4SGK1BRPF1
SCHEMBL8264979 0.78 KMT2A (0.48) HDAC4SGK1CA2BRPF1BRD4
Hydrochloric Acid SCHEMBL18953642 0.78 SGK1 (0.50) HDAC4ALDH1A1SGK1CA2BRPF1
SCHEMBL3123439 0.78 NNMT (0.54) SMN1; SMN2EPHX2
SCHEMBL21590270 0.76 CA1 (0.53) HDAC4SGK1CA2POLBBRPF1

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 HDAC4 1891/4885SMN1; SMN2 1866/4885ALDH1A1 614/4885

“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.