SCHEMBL3408339

SCHEMBL3408339

O=S(=O)(c1ccccc1B(O)O)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 4/20 0.50
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
USP2 O75604 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CCR8 P51685 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL29952479 1.00 NPC1 (0.52) NPC1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL519134 0.85 TSHR (0.67) KMT2AALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL15845803 0.83 TSHR (0.70) KMT2AALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL28250596 0.80 ALDH1A1 (0.54) NPC1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL1911955 0.80 ALDH1A1 (0.63) NPC1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL16599560 0.79 CYP2C9 (0.53) NPC1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL3247291 0.78 CNR1 (0.56) NPC1KMT2APOLBL3MBTL1MEN1
SCHEMBL1988502 0.77 POLB (0.50) NPC1KMT2AALDH1A1POLBL3MBTL1
Hydrochloric Acid SCHEMBL28721405 0.77 ALDH1A1 (0.60) NPC1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL16891569 0.77 NPC1 (0.52) NPC1KMT2AALDH1A1POLBL3MBTL1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed
EP-2951170-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-10-24 EP disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
US-20160237045-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-18 US disclosed
EP-3049410-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES AS MODULATORS OF FACTOR XIA Bayer Pharma Aktiengesellschaft (DE) 2016-08-03 EP disclosed
EP-2964635-A1 ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2257529-A2 PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K Novartis AG (CH) 2010-12-08 EP disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009115517-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 US disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 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 (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-20160237045-A1 SUBSTITUTED PHENYLALANINE DERIVATIVES PAH, PEPD, AADAT NPC1 4114/4885KMT2A 1451/4885ALDH1A1 1093/4885
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 NPC1 190/4885KMT2A 2151/4885ALDH1A1 1743/4885
US-20090239847-A1 Organic compounds AR, TRPA1, IL33 NPC1 483/4885KMT2A 1428/4885ALDH1A1 150/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 NPC1 483/4885KMT2A 1428/4885ALDH1A1 150/4885

“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.