SCHEMBL854322

SCHEMBL854322

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
EPHX2 P34913 1/20 0.60
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
DDIT3 P35638 1/20 0.55
HSD11B1 P28845 2/20 0.55
ACHE P22303 1/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 2/20 0.52
HSP90AA1 P07900 1/20 0.52
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
PARL Q9H300 1/20 0.50

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
SCHEMBL21681939 0.91 SMN1; SMN2 (0.56) SMN1; SMN2HTTRECQLEPHX2ALDH1A1
SCHEMBL16912986 0.86 SMN1; SMN2 (0.64) SMN1; SMN2HTTRECQLEPHX2ALDH1A1
SCHEMBL7133340 0.85 SMN1; SMN2 (0.60) SMN1; SMN2HTTRECQLEPHX2ALDH1A1
SCHEMBL1519692 0.85 ALDH1A1 (0.69) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL14055643 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HTTRECQLEPHX2ALDH1A1
SCHEMBL16912996 0.84 EPHX2 (0.63) SMN1; SMN2HTTRECQLEPHX2ALDH1A1
SCHEMBL30005295 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HTTRECQLEPHX2ALDH1A1
SCHEMBL853015 0.84 LMNA (0.72) SMN1; SMN2HTTEPHX2ALDH1A1LMNA
SCHEMBL1869040 0.84 EPHX2 (0.66) SMN1; SMN2HTTRECQLEPHX2ALDH1A1
SCHEMBL1867988 0.82 EPHX2 (0.65) SMN1; SMN2HTTRECQLEPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2024-12-19 US disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 CN disclosed
EP-3946301-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS The University of Chicago (US) 2022-02-09 EP disclosed
WO-2020206109-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS THE UNIVERSITY OF CHICAGO (US) 2020-10-08 WO disclosed
WO-2020206118-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2020-10-08 WO disclosed
EP-2271631-B1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARM INC (US) 2018-07-04 EP disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9139581-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
US-20090298823-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-03 US disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 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-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B SMN1; SMN2 4191/4885HTT 2881/4885RECQL 1036/4885
US-20090298823-A1 Inhibitors of protein kinases SYK, BTK, JAK2 SMN1; SMN2 4561/4885HTT 2628/4885RECQL 2503/4885
US-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA HIF1AN, RHOXF2, HIF1A SMN1; SMN2 4731/4885HTT 4260/4885RECQL 1280/4885

“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.