SCHEMBL6580148

SCHEMBL6580148

Cc1[nH]c2ccc(S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2c1CCNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
MAPT P10636 7/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
SPR P35270 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL6579596 0.91 MTNR1A (0.47) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL6575604 0.90 MTNR1A (0.47) MTNR1AMTNR1BMAPTLMNAMEN1
SCHEMBL6575539 0.88 MTNR1A (0.47) MTNR1AMTNR1BMAPTLMNAALDH1A1
SCHEMBL6577255 0.88 MTNR1A (0.45) MTNR1AMTNR1BMAPTLMNAALDH1A1
SCHEMBL6575505 0.84 MTNR1A (0.55) MTNR1AMTNR1BMAPTLMNAALDH1A1
SCHEMBL7170336 0.82 NQO2 (0.47) MTNR1AMTNR1BMAPTMEN1KMT2A
SCHEMBL6579480 0.81 SPR (0.44) SPRCA1CA2HDAC3HDAC4
SCHEMBL6580300 0.79 HTR6 (0.51) MAPTLMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6575494 0.78 HTR6 (0.50) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4241544 0.77 MTNR1B (0.73) MTNR1AMTNR1BMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6565829-B2 Psychological disorders; central nervous system disorders PHARMACIA & UPJOHN COMPANY 2003-05-20 US claimed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 US claimed
EP-1411925-A1 5-ARYLSULFONYL INDOLES HAVING 5-HT6 RECEPTOR AFFINITY PHARMACIA & UPJOHN COMPANY (US) 2004-04-28 EP disclosed
US-6565829-B2 Psychological disorders; central nervous system disorders PHARMACIA & UPJOHN COMPANY 2003-05-20 US disclosed
US-20030060498-A1 5-arylsulfonyl indoles useful for treating disease PHARMACIA & UPJOHN COMPANY 2003-03-27 US disclosed
WO-2003011284-A1 5-ARYLSULFONYL INDOLES HAVING 5-HT6 RECEPTOR AFFINITY PHARMACIA & UPJOHN COMPANY (US) 2003-02-13 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-20030060498-A1 5-arylsulfonyl indoles useful for treating disease IDO1, HTR5A, IDO2 MTNR1A 104/4885MTNR1B 106/4885MAPT 317/4885

“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.