SCHEMBL396589

SCHEMBL396589

Nc1cccc(S(=O)(=O)N2CCCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
PKM P14618 6/20 0.68
PKLR P30613 1/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
LMNA P02545 3/20 0.63
TSHR P16473 2/20 0.63
THRB P10828 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
CNR1 P21554 1/20 0.61
HTT P42858 1/20 0.61
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.59
IL1RN P18510 1/20 0.59

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
SCHEMBL264656 0.98 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2PKMPKLRMEN1
SCHEMBL10860773 0.93 PKM (0.77) ALDH1A1SMN1; SMN2PKMPKLRMEN1
SCHEMBL2856804 0.86 APOBEC3A (0.67) PKMPKLRKMT2ALMNAHTT
SCHEMBL266849 0.85 PKM (0.67) SMN1; SMN2PKMPKLRLMNATSHR
SCHEMBL2851159 0.85 PKM (0.62) ALDH1A1SMN1; SMN2PKMPKLRMEN1
SCHEMBL29507905 0.85 PKM (0.66) ALDH1A1SMN1; SMN2PKMPKLRMEN1
SCHEMBL6224554 0.85 PKM (0.67) SMN1; SMN2PKMPKLRLMNATSHR
SCHEMBL856792 0.85 PKM (0.66) ALDH1A1SMN1; SMN2PKMPKLRMEN1
SCHEMBL30976596 0.85 PKM (0.62) ALDH1A1SMN1; SMN2PKMPKLRMEN1
SCHEMBL19302897 0.83 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2PKMPKLRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP claimed
US-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA THE UNIVERSITY OF CHICAGO (US) 2024-12-19 US disclosed
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 US disclosed
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 US disclosed
EP-4164622-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA Icahn School of Medicine at Mount Sinai (US) 2023-04-19 EP disclosed
EP-3946301-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS The University of Chicago (US) 2022-02-09 EP disclosed
WO-2021257544-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-12-23 WO disclosed
WO-2020206109-A1 REMODILINS FOR AIRWAY REMODELING AND ORGAN FIBROSIS THE UNIVERSITY OF CHICAGO (US) 2020-10-08 WO disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed
WO-2007072041-A1 THERAPEUTIC COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2007-06-28 WO disclosed
CN-1964973-A Pyrrazolo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-05-16 CN disclosed
EP-1761541-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US disclosed
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 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 (7 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS ALDH1A1 745/4885SMN1; SMN2 2315/4885PKM 370/4885
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA BCL6, SOX18, BCL3 ALDH1A1 2654/4885SMN1; SMN2 4270/4885PKM 3856/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 ALDH1A1 1028/4885SMN1; SMN2 500/4885PKM 186/4885
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 ALDH1A1 2569/4885SMN1; SMN2 405/4885PKM 2001/4885
US-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD ALDH1A1 583/4885SMN1; SMN2 3743/4885PKM 1266/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885SMN1; SMN2 4740/4885PKM 3024/4885
US-20240415851-A1 REMODILINS TO PREVENT OR TREAT CANCER METASTASIS, GLAUCOMA, AND HYPOXIA HIF1AN, RHOXF2, HIF1A ALDH1A1 2857/4885SMN1; SMN2 4731/4885PKM 3281/4885

“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.