SCHEMBL4319138

SCHEMBL4319138

O=S(=O)(c1cccc(C(F)(F)F)c1)n1c(N2CCNCC2)cc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.56
HTT P42858 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
TP53 P04637 1/20 0.46
GBA1 P04062 1/20 0.41
IDH2 P48735 1/20 0.41

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 SCHEMBL6518622 0.99 HTR6 (0.55) HTR6HTTHTR3EHTR3BALDH1A1
SCHEMBL4304442 0.85 HTR6 (0.54) HTR6
Hydrochloric Acid SCHEMBL6521806 0.84 HTR6 (0.53) HTR6
Hydrochloric Acid SCHEMBL4316251 0.84 HTR6 (0.53) HTR6
SCHEMBL4310012 0.81 DRD2 (0.46) HTR6TP53
Hydrochloric Acid SCHEMBL6521473 0.80 DRD2 (0.45) HTR6TP53
SCHEMBL4311211 0.80 NOD1 (0.50) HTR6GBA1
Hydrochloric Acid SCHEMBL6521954 0.79 NOD1 (0.49) HTR6GBA1
SCHEMBL4309788 0.78 PKM (0.45) HTR6HTTMAPT
SCHEMBL4316005 0.78 MAPT (0.51) HTR6HTTALDH1A1MAPT

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 8 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-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
CN-101298433-A 2-, 3-, 4-, or 5-substituted-n1-(benzensulfonyl)indoles and their use in therapy BIOVITRUM AB (SE) 2008-11-05 CN disclosed
CN-100378074-C 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2008-04-02 CN disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US disclosed
CN-1714077-A 2-, 3-, 4-or 5-substituted N1- (phenylsulfonyl) indoles and their therapeutic use BIOVITRUM AB (SE) 2005-12-28 CN disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US 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 1/4885HTT 465/4885HTR3E 18/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A HTR6 1/4885HTT 420/4885HTR3E 17/4885

“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.