SCHEMBL2501666

SCHEMBL2501666

NS(=O)(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4305407 0.85 ALDH1A1 (0.60) ALDH1A1TDP1NPC1RAB9ARECQL
Hydrazine SCHEMBL28200090 0.82 ALDH1A1 (0.53) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL4102754 0.81 ALDH1A1 (0.61) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL31443947 0.81 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL3943250 0.81 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL2333531 0.81 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL3943254 0.81 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL27494789 0.80 ALDH1A1 (0.59) ALDH1A1TDP1NPC1RAB9ARECQL
2-Nitroanisole SCHEMBL1630291 0.80 ALDH1A1 (0.82) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL7596299 0.79 ALDH1A1 (0.58) ALDH1A1TDP1NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030296-B2 Oestrogen-17-sulphamates as inhibitors of steroid sulphatase STERIX LIMITED (GB) 2011-10-04 US disclosed
US-20070021624-A1 Steroid sulphatase inhibitors REED MICHAEL J 2007-01-25 US disclosed
US-20070021624-A1 Steroid sulphatase inhibitors REED MICHAEL J 2007-01-25 US disclosed
US-20070021624-A1 Steroid sulphatase inhibitors REED MICHAEL J 2007-01-25 US disclosed
US-20060281719-A1 Oestrogen-17-sulphamates as inhibitors of steroid sulphatase LLOYD POTTER BARRY V 2006-12-14 US disclosed
US-7119081-B2 Oestrogen-17-sulphamates as inhibitors of steroid sulphatase STERIX LIMITED (GB) 2006-10-10 US disclosed
US-7098199-B2 Steroid sulphatase inhibitors STERIX LIMITED (GB) 2006-08-29 US disclosed
US-6903084-B2 Steroid sulphatase inhibitors STERIX LIMITED (GB) 2005-06-07 US disclosed
US-6677325-B2 CONTROLLING ESTROGEN PRODUCTION WITH SULFATED STEROIDS STERIX LTD. (GB) 2004-01-13 US disclosed
US-6642397-B1 Purified polycyclic sulfamate derivative STERIX LIMITED (GB) 2003-11-04 US disclosed
US-6476011-B1 Methods for introducing an estrogenic compound STERIX LIMITED (GB) 2002-11-05 US disclosed
US-20020128243-A1 Steroid sulphatase inhibitors REED MICHAEL JOHN (GB) 2002-09-12 US disclosed
US-20010018435-A1 Steroid sulphatase inhibitors STERIX LIMITED 2001-08-30 US disclosed
US-6187766-B1 Steroid sulphatase inhibitors IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) 2001-02-13 US disclosed
US-6159960-A Steroid sulphatase inhibitors STERIX LIMITED (GB) 2000-12-12 US disclosed
US-6011024-A A RING SYSTEM COMPOUND TO WHICH IS ATTACHED A SULPHAMATE GROUP IMPERIAL COLLEGE OF SCIENCE TECHNOLOGY & MEDICINE (GB) 2000-01-04 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 (4 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-20070021624-A1 Steroid sulphatase inhibitors STS, CYP21A2, SULT1E1 ALDH1A1 365/4885TDP1 3877/4885NPC1 1937/4885
US-20060281719-A1 Oestrogen-17-sulphamates as inhibitors of steroid sulphatase STS, SULT1E1, HSD17B11 ALDH1A1 2655/4885TDP1 1568/4885NPC1 4726/4885
US-20010018435-A1 Steroid sulphatase inhibitors STS, CYP21A2, SULT1E1 ALDH1A1 326/4885TDP1 1788/4885NPC1 2660/4885
US-20020128243-A1 Steroid sulphatase inhibitors STS, SULT1E1, CYP21A2 ALDH1A1 398/4885TDP1 3697/4885NPC1 2065/4885

“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.