SCHEMBL935631

SCHEMBL935631

COC(=O)c1cc(Cn2cncn2)cc(N(C)S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MMP13 P45452 3/20 0.42
MMP9 P14780 2/20 0.42
ADAM17 P78536 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
POLB P06746 1/20 0.40
MMP2 P08253 2/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL935584 0.89 HDAC1 (0.41) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL12944629 0.88 ALDH1A1 (0.43) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL930411 0.86 CYP19A1 (0.48) MEN1KMT2AALDH1A1HDAC1HDAC6
SCHEMBL935375 0.84 MEN1 (0.54) LMNAMEN1KMT2AMMP13MMP9
SCHEMBL935987 0.83 MEN1 (0.50) LMNAMEN1KMT2AMMP13MMP9
SCHEMBL936482 0.82 MEN1 (0.49) LMNAMEN1KMT2AMMP13MMP9
SCHEMBL13240266 0.82 MEN1 (0.36) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL935593 0.81 MEN1 (0.52) LMNAMEN1KMT2AMMP13MMP9
SCHEMBL937743 0.79 NR1H4 (0.51) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL936648 0.74 SCN9A (0.43) NPC1LMNAMEN1KMT2AALDH1A1

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 9 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
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
US-7763642-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LTD. (GB) 2010-07-27 US disclosed
EP-1753732-B1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LTD (GB) 2009-12-02 EP disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2007-05-24 US disclosed
EP-1753732-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS Sterix Limited (GB) 2007-02-21 EP disclosed
WO-2005118560-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2005-12-15 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 (2 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-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 NPC1 3938/4885RAB9A 4812/4885SMN1; SMN2 4732/4885
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 NPC1 3938/4885RAB9A 4812/4885SMN1; SMN2 4732/4885

“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.