SCHEMBL16856902

SCHEMBL16856902

Cc1ccc(S(=O)(=O)Oc2ccc(C=O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
PTPN1 P18031 1/20 0.45
ALPL P05186 2/20 0.44
ALPI P09923 2/20 0.44
GPR17 Q13304 1/20 0.44
MAOA P21397 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 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
SCHEMBL31572352 0.83 ALDH1A1 (0.60) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL27945639 0.81 MEN1 (0.49) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11628716 0.81 TSHR (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5981655 0.81 MEN1 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL551524 0.78 MEN1 (0.50) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL27323918 0.78 ALDH1A1 (0.43) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL27996286 0.78 POLB (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL3017185 0.76 TSHR (0.62) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1572278 0.75 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2POLBMCOLN3
SCHEMBL2234824 0.74 HSP90AA1 (0.63) ALDH1A1MAPTMEN1KMT2AALPL

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-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 ALDH1A1 640/4885MAPT 4856/4885LMNA 1646/4885

“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.