SCHEMBL16733908

SCHEMBL16733908

CCCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.57
GAA P10253 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ATM Q13315 1/20 0.51
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NSD2 O96028 1/20 0.51

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
SCHEMBL2375584 0.87 POLB (0.68) ALDH1A1GAAMAPTHTTLMNA
SCHEMBL12169349 0.86 L3MBTL1 (0.69) ALDH1A1PKMGAAHTTLMNA
SCHEMBL2377868 0.84 ALDH1A1 (0.65) ALDH1A1RAB9AGAAMAPTLMNA
SCHEMBL10724375 0.84 POLB (0.67) PKMGAAPOLBTSHRMEN1
SCHEMBL2839179 0.84 RAB9A (0.63) ALDH1A1PKMRAB9AGAAMAPT
SCHEMBL5307150 0.84 ALDH1A1 (0.57) ALDH1A1RAB9AGAAMAPTHTT
SCHEMBL5303617 0.83 LMNA (0.65) ALDH1A1RAB9AGAAMAPTHTT
SCHEMBL9344505 0.83 ALDH1A1 (0.65) ALDH1A1PKMRAB9AHTTLMNA
SCHEMBL31315858 0.83 ALDH1A1 (0.65) ALDH1A1PKMRAB9AHTTLMNA
SCHEMBL15249012 0.82 POLB (0.78) ALDH1A1PKMGAALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-11-15 US disclosed
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-07-09 US disclosed
EP-2876109-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Yuhan Corporation (KR) 2015-05-27 EP 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-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PIK3CD, PIK3CA, MTOR ALDH1A1 3470/4885PKM 953/4885RAB9A 507/4885

“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.