SCHEMBL12908855

SCHEMBL12908855

COC(=O)c1cc(Cn2cncn2)cc(NC(=O)c2ccc(NS(=O)(=O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 2/20 0.42
PTPRB P23467 2/20 0.41
TNIK Q9UKE5 1/20 0.40
PTPN11 Q06124 1/20 0.40
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NAMPT P43490 1/20 0.39
S1PR1 P21453 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL937045 0.88 HDAC1 (0.51) HDAC1HDAC6KDM4ETNIKPTPN11
SCHEMBL12908894 0.87 HDAC1 (0.50) HDAC1HDAC6KDM4ETNIKPTPN11
SCHEMBL935369 0.85 CYP19A1 (0.51) HDAC1HDAC6KDM4ETNIKPTPN11
SCHEMBL14536057 0.84 HDAC1 (0.45) HDAC1HDAC6KDM4ETNIKPTPN11
SCHEMBL12944928 0.82 SMN1; SMN2 (0.51) HDAC1HDAC6KDM4EPTPN11HPGD
SCHEMBL12908854 0.81 PTPRB (0.40) HDAC1HDAC6PTPRBHPGDS1PR1
SCHEMBL937743 0.81 NR1H4 (0.51) HDAC1HDAC6MEN1KMT2ATP53
SCHEMBL13240268 0.79 HDAC1 (0.42) HDAC1HDAC6KDM4ETNIKPTPN11
SCHEMBL13240276 0.78 HDAC1 (0.41) HDAC1HDAC6KDM4ETNIKPTPN11
SCHEMBL12908853 0.77 CYP1A2 (0.39) HDAC1HDAC6PTPRBMEN1KMT2A

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-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX, LIMITED (GB) 2011-01-27 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-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 HDAC1 1078/4885HDAC6 2286/4885KDM4E 378/4885

“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.