SCHEMBL4312656

SCHEMBL4312656

CCCCOc1ccc(S(=O)(=O)n2ccc3cc(N4CCN(Cc5ccccc5)CC4)ccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.57
L3MBTL1 Q9Y468 2/20 0.51
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
CHRM1 P11229 1/20 0.47
POLB P06746 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
ADAM17 P78536 1/20 0.47

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
Hydrochloric Acid SCHEMBL4444066 0.99 HTR6 (0.56) HTR6L3MBTL1HTR1ADRD2CHRM1
SCHEMBL4309897 0.89 HTR6 (0.61) HTR6L3MBTL1HTR1ADRD2POLB
Hydrochloric Acid SCHEMBL4452149 0.88 HTR6 (0.60) HTR6L3MBTL1HTR1ADRD2POLB
SCHEMBL4306045 0.87 HTR6 (0.61) HTR6HTR1ADRD2CHRM1
Hydrochloric Acid SCHEMBL4449854 0.86 HTR6 (0.60) HTR6HTR1ADRD2CHRM1
SCHEMBL4311239 0.85 HTR6 (0.65) HTR6HTR1ADRD2
Hydrochloric Acid SCHEMBL4451553 0.84 HTR6 (0.64) HTR6HTR1ADRD2
SCHEMBL4304553 0.84 HTR6 (0.61) HTR6HTR1ADRD2
Hydrochloric Acid SCHEMBL4445205 0.83 HTR6 (0.60) HTR6HTR1ADRD2
SCHEMBL4312732 0.83 HTR6 (0.53) HTR6L3MBTL1HTR1ADRD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US claimed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US claimed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP claimed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US claimed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 WO claimed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 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 (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-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A HTR6 1/4885L3MBTL1 2153/4885HTR1A 2/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A HTR6 1/4885L3MBTL1 2224/4885HTR1A 3/4885

“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.