SCHEMBL936288

SCHEMBL936288

COC(=O)c1cc(C(C)(C)C#N)cc(C(C)(C)C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
KDM4E B2RXH2 4/20 0.44
XDH P47989 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL4200744 0.90 CA1 (0.43) NOTUMCA1CA2CA12CA7
SCHEMBL936865 0.90 CNR2 (0.43) NOTUMCA1CA2CA12CA7
SCHEMBL4199163 0.90 CA12 (0.58) NOTUMCA1CA2CA12CA7
SCHEMBL8074642 0.90 NOTUM (0.44) NOTUMCA1CA2CA12CA7
SCHEMBL5004408 0.89 ATAD2 (0.43) NOTUMCA1CA2CA12CA7
SCHEMBL4969295 0.89 NOTUM (0.44) NOTUMCA1CA2CA12CA7
SCHEMBL4207015 0.89 NOTUM (0.63) NOTUMCA1CA2CA12CA7
SCHEMBL26146853 0.89 ALDH1A1 (0.42) NOTUMCA1CA2CA12CA7
SCHEMBL10187412 0.88 NOTUM (0.38) NOTUMCA1CA2CA12CA7
SCHEMBL5004975 0.86 NOTUM (0.41) NOTUMCA1CA2CA12CA7

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 14 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-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-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
EP-1753732-B1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LTD (GB) 2009-12-02 EP disclosed
EP-1753732-B1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS STERIX LTD (GB) 2009-12-02 EP disclosed
US-20080207915-A1 Process for the Preparation of 2,2'-[5-(1H-1,2,4-Triazole-1-Ylmethyl) -1,3-Phenylene] Di (2-Methylpropionitrile) USV LIMITED (IN) 2008-08-28 US 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
US-RE36617-E Anastrozole and salts as anticancer agent ZENECA LIMITED (GB) 2000-03-14 US disclosed
EP-0296749-B1 (Substituted aralkyl) heterocyclic compounds ZENECA LTD (GB) 1994-10-26 EP disclosed
US-4935437-A (Substituted aralkyl) heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-19 US disclosed
EP-0296749-A1 (Substituted aralkyl) heterocyclic compounds ZENECA LIMITED (GB) 1988-12-28 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 (3 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-20080207915-A1 Process for the Preparation of 2,2'-[5-(1H-1,2,4-Triazole-1-Ylmethyl) -1,3-Phenylene] Di (2-Methylpropionitrile) CYP19A1, CYP11A1, HCN2 NOTUM 1176/4885CA1 104/4885CA2 67/4885
US-20070117855-A1 Phenyl-sulfamates as aromatase inhibitors CYP19A1, CYP17A1, CYP21A2 NOTUM 637/4885CA1 316/4885CA2 286/4885
US-20110021586-A1 PHENYL-SULFAMATES AS AROMATASE INHIBITORS CYP19A1, CYP17A1, CYP21A2 NOTUM 637/4885CA1 316/4885CA2 286/4885

“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.