SCHEMBL5246151

SCHEMBL5246151

CCCCCNC(=O)c1cccs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.78
HDAC1 Q13547 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
GAA P10253 4/20 0.70
HDAC3 O15379 1/20 0.66
NPC1 O15118 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 3/20 0.62
TSHR P16473 2/20 0.62
GLA P06280 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RAB9A P51151 2/20 0.60
KMT2A Q03164 1/20 0.60
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL6928579 0.98 KDM4E (0.76) KDM4EHDAC1HDAC11HDAC8HDAC6
SCHEMBL4045277 0.95 KDM4E (0.81) KDM4EHDAC1HDAC11HDAC8HDAC6
SCHEMBL6127192 0.90 KDM4E (0.89) KDM4EHDAC1HDAC11HDAC8HDAC6
SCHEMBL27189083 0.89 GAA (0.65) KDM4EHDAC1HDAC11HDAC8HDAC6
SCHEMBL3077089 0.88 KDM4E (0.74) KDM4EHDAC1HDAC11HDAC8HDAC6
Hydrochloric Acid SCHEMBL31169755 0.87 KDM4E (0.72) KDM4EHDAC1HDAC11HDAC8HDAC6
SCHEMBL18197872 0.84 KDM4E (0.84) KDM4EHDAC1GAAHDAC3NPC1
SCHEMBL18906066 0.83 KDM4E (0.83) KDM4EHDAC1GAAHDAC3NPC1
SCHEMBL29358739 0.83 HDAC1 (1.00) KDM4EHDAC1HDAC11HDAC8HDAC6
SCHEMBL13617092 0.83 KDM4E (0.71) KDM4EHDAC1HDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
EP-1533311-B1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC (US) 2007-04-25 EP disclosed
EP-1533311-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2005-05-25 EP disclosed
EP-1244657-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-12-29 EP disclosed
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed
US-6686382-B2 N-(ISOXAZOLYL)THIENYLSULFONAMIDES, N-(ISOXAZOLYL)FURYLSULFONAMIDES, N-(ISOXAZOLYL)PYRROLYLSULFONAMIDES AND N-(ISOXAZOLYL)PHENYLSULFONAMIDES; INHIBIT ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2004-02-03 US disclosed
US-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2003-11-06 US disclosed
US-6632829-B2 Thienyl, furyl and pyrrolyl-sulfonamides, useful for treating hypertension, cardiovascular disease, asthma, pulmonary hypertension, inflammatory diseases, vision defects, menstrual disorders, renal failure and other diseases TEXAS BIOTECHNOLOGY CORP. 2003-10-14 US disclosed
EP-1342721-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2003-09-10 EP disclosed
EP-0828488-B1 ISOTHIAZOLONES WARNER LAMBERT CO (US) 2003-02-12 EP disclosed
US-6133270-A Isothiazolones and pharmaceutical formulations WARNER-LAMBERT COMPANY (US) 2000-10-17 US disclosed
US-6001863-A USEFUL AS ANTIVIRAL, ANTIINFLAMMATORY AND ANTIATHEROSCLEROSIS AGENT; ADMINISTERING TO THE PATIENT IN NEED OF ZINC EJECTION FROM NUCLEOCAPSID PROTEIN WARNER-LAMBERT COMPANY (US) 1999-12-14 US disclosed
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 EP disclosed
US-5889034-A ANTIINFLAMMATORY AGENT; ANTIATHEROSCLEROSIS AGENT; VIRICIDES WARNER-LAMBERT COMPANY (US) 1999-03-30 US disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 WO disclosed
US-5733921-A ANTIRETROVIRAL AGENTS; ANTIINFLAMMATORY AGENTS; ANTIATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1998-03-31 US disclosed
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 EP disclosed
US-5668162-A Isothiazolones lower plasma levels of lipoprotein(a) WARNER-LAMBERT COMPANY 1997-09-16 US disclosed
US-5620997-A VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIATHEROSCLEROTIC AGENT WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 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 (1 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-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 KDM4E 2082/4885HDAC1 1570/4885HDAC11 1323/4885

“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.