SCHEMBL6768291

SCHEMBL6768291

N#CSCCCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL775644 0.81 ALDH3A1 (0.34) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL799369 0.81 ALDH3A1 (0.34) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL3210806 0.75 ALDH3A1 (0.36) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL9001565 0.74 ALDH1A1 (0.50) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL8333845 0.74
SCHEMBL774959 0.73 ALDH3A1 (0.33) ALDH3A1
SCHEMBL798900 0.73 ALDH3A1 (0.33) ALDH3A1
SCHEMBL7140484 0.72 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL6579911 0.72 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR
SCHEMBL6577600 0.72 ALDH1A1 (0.47) ALDH3A1ALDH1A1TP53HPGDTSHR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101177385-B Aryl sulfonic acid amides and analogues as well as its purpose in curing neural degeneration disease BAYER AG 2011-06-15 CN disclosed
CN-100453529-C Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2009-01-21 CN disclosed
CN-101177385-A Aryl sulfonic acid amides and analogues as well as its purpose in curing neural degeneration disease BAYER AG (DE) 2008-05-14 CN disclosed
CN-100371318-C Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2008-02-27 CN disclosed
CN-1754873-A Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2006-04-05 CN disclosed
US-6727279-B2 CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
US-6573278-B2 For therapy and prophylaxis of cerebral apoplexy and craniocerebral trauma BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-20030073727-A1 Novel arylsulphonamides and analogues MITTENDORF JOACHIM (DE) 2003-04-17 US disclosed
US-6545050-B1 Prophylaxis and treatment of neurodegenerative disorders, in particular for the treatment of cerebral apoplexy, craniocerebral trauma, pain and spasticity. BAYER AKTIENGESELLSCHAFT (DE) 2003-04-08 US disclosed
US-6469054-B1 PROPHYLAXIS AND TREATMENT OF NEURODEGENERATIVE DISORDERS, IN PARTICULAR FOR THE TREATMENT OF CEREBRAL APOPLEXY, CRANIOCEREBRAL TRAUMA, PAIN AND SPASTICITY BAYER AKTIENGESELLSHAFT (DE) 2002-10-22 US disclosed
US-20020072529-A1 Arylsulfonamides and analogues BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-06-13 US disclosed
US-6262112-B1 1-(4,4,4-TRIFLUOROBUTYLSULPHONYLOXY)-3-(2-(HYDROXYMETHYL)INDAN -4-YLOXY)-BENZENE BAYER AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
CN-1253545-A Aryl sulfonamides and analogues thereof and their use in the treatment of neurodegenerative diseases BAYER AG (DE) 2000-05-17 CN 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 (2 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-20030073727-A1 Novel arylsulphonamides and analogues PRSS12, OPRL1, CTSH ALDH3A1 2755/4885ALDH1A1 3823/4885TP53 4773/4885
US-20020072529-A1 Arylsulfonamides and analogues ARSA, PRSS12, SNCA ALDH3A1 1205/4885ALDH1A1 3020/4885TP53 4094/4885

“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.