SCHEMBL519134

SCHEMBL519134

O=S(=O)(c1ccccc1B(O)O)N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP3A4 P08684 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 7/20 0.51
ATM Q13315 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL15845803 0.98 TSHR (0.70) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL29952479 0.85 NPC1 (0.52) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL3408339 0.85 NPC1 (0.52) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL14818738 0.78 TSHR (0.71) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL4367399 0.78 TSHR (0.71) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL31674376 0.77 TSHR (0.59) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL8514786 0.76 TSHR (0.75) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL28860006 0.76 TSHR (0.62) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL14803642 0.75 TSHR (0.67) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL16417575 0.75 TSHR (0.67) TSHRCYP2C9CYP2C19CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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
EP-3070085-A1 FLAP MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-09-21 EP disclosed
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
US-20150376212-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
EP-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 EP disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed
US-20140221311-A1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (US) 2014-08-07 US disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20150376212-A1 FLAP MODULATORS FEN1, PGF, TBXA2R TSHR 2884/4885CYP2C9 899/4885CYP2C19 345/4885
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 TSHR 4111/4885CYP2C9 2448/4885CYP2C19 2250/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 TSHR 2182/4885CYP2C9 3926/4885CYP2C19 2405/4885
US-20140221311-A1 FLAP MODULATORS PGF, FEN1, TBXA2R TSHR 2461/4885CYP2C9 782/4885CYP2C19 259/4885

“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.