SCHEMBL16301360

SCHEMBL16301360

COc1ccc(S(=O)(=O)N2CCCC(C)C2)cn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
AKR1C3 P42330 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 3/20 0.49
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 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
SCHEMBL10224164 0.84 GAA (0.55) KDM4EGAAALDH1A1LMNAHTT
SCHEMBL21925711 0.84 POLB (0.59) KDM4EKMT2ANPSR1GAATSHR
SCHEMBL19215172 0.80 KDM4E (0.48) KDM4EKMT2AGAAALDH1A1LMNA
SCHEMBL12793337 0.77 MEN1 (0.71) KDM4EAKR1C3KMT2ANPSR1TSHR
SCHEMBL12169324 0.76 KDM4E (0.64) KDM4EAKR1C3SMN1; SMN2KMT2ANPSR1
SCHEMBL12876059 0.76 KDM4E (0.64) KDM4EAKR1C3SMN1; SMN2KMT2ANPSR1
SCHEMBL27300486 0.75 GAA (0.43) SMN1; SMN2GAATSHRALDH1A1LMNA
SCHEMBL4551548 0.75 KMT2A (0.51) KDM4ESMN1; SMN2KMT2AGAATSHR
SCHEMBL27299762 0.75 GAA (0.42) SMN1; SMN2GAATSHRALDH1A1LMNA
SCHEMBL21893913 0.74 AKR1C3 (0.62) KDM4EAKR1C3KMT2ANPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT KDM4E 2733/4885AKR1C3 433/4885SMN1; SMN2 4547/4885

“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.