SCHEMBL830828

SCHEMBL830828

Cc1cc(S(=O)(=O)F)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
IDO1 P14902 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CCR2 P41597 1/20 0.40
MAPT P10636 3/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
GHSR Q92847 1/20 0.38
TP53 P04637 2/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL11353339 0.83 LMNA (0.41) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL5524384 0.83 ALDH1A1 (0.50) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL29421567 0.81 LMNA (0.49) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL394533 0.81 LMNA (0.49) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL851152 0.81 CA2 (0.55) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL10412670 0.80 LMNA (0.61) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL711751 0.80 MAPT (0.62) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL17985 0.79 LMNA (0.47) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL30454637 0.79 LMNA (0.47) LMNAMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL28558789 0.79 LMNA (0.67) LMNAMEN1ALDH1A1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
US-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS GRUENENTHAL GMBH (DE) 2016-06-02 US disclosed
WO-2015022073-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS Grünenthal GmbH (DE) 2015-02-19 WO disclosed
EP-2099807-B1 OXIDATION RESISTANT INDICATOR MOLECULES SENSEONICS INC (US) 2014-01-01 EP disclosed
CN-101541813-B Oxidation resistant indicator molecules SENSORS FOR MED & SCIENCE INC 2013-07-31 CN disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-8143068-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2012-03-27 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-20110081727-A1 Oxidation Resistant Indicator Molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2011-04-07 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
US-7851225-B2 Oxidation resistant indicator molecules SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2010-12-14 US disclosed
CN-101541813-A Oxidation resistant indicator molecules SENSORS FOR MED & SCIENCE INC (US) 2009-09-23 CN disclosed
EP-2099807-A2 OXIDATION RESISTANT INDICATOR MOLECULES Sensors For Medicine And Science, Inc. (US) 2009-09-16 EP disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US disclosed
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-19 US disclosed
WO-2008066921-A2 OXIDATION RESISTANT INDICATOR MOLECULES SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2008-06-05 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 (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-20160151337-A1 ANNELATED PYRROLES AND THEIR USE AS CRAC INHIBITORS AADAC, PRRC2C, PRRC2A LMNA 2660/4885MEN1 3713/4885ALDH1A1 1708/4885
US-20110081727-A1 Oxidation Resistant Indicator Molecules AOX1, GPX4, SQOR LMNA 3289/4885MEN1 4586/4885ALDH1A1 129/4885
US-20080145944-A1 OXIDATION RESISTANT INDICATOR MOLECULES AOX1, GPX4, SQOR LMNA 3289/4885MEN1 4586/4885ALDH1A1 129/4885

“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.