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Sugi Predict / Compounds / SCHEMBL1136671

SCHEMBL1136671

SCHEMBL1136671

O=S(=O)(c1ccccc1)c1ccc(CC[C@H](O)CO)c(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR6 P50406 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ SFRP1 Q8N474 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1136582 1.00 HTR2C (0.39) HTR2CHTR2AHTR6ALDH1A1POLB
SCHEMBL1136541 0.85 HTR2C (0.36) HTR2CHTR2AHTR6ALDH1A1POLB
SCHEMBL12864464 0.84 HTR2C (0.39) HTR2CHTR2AHTR6ALDH1A1POLB
SCHEMBL27743037 0.77 HDAC3 (0.44) HTR2CHTR2AHTR6ALDH1A1SMN1; SMN2
SCHEMBL1136585 0.76 MMP12 (0.38) HTR2AHTR6MMP1MMP7MMP8
SCHEMBL14185724 0.75 CYP1A2 (0.43) HTR6ALDH1A1POLBSMN1; SMN2CA1
SCHEMBL3144429 0.75 CYP1A2 (0.43) HTR6ALDH1A1POLBSMN1; SMN2CA1
SCHEMBL1136708 0.75 HTR2C (0.42) HTR2CHTR2AHTR6ALDH1A1POLB
SCHEMBL1136682 0.74 HTR2C (0.41) HTR2CHTR2AHTR6ALDH1A1POLB
SCHEMBL17593488 0.73 TAAR1 (0.48) ALDH1A1MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027104-B1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-02-23 — — EP disclosed
EP-2027104-B1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-02-23 — — EP disclosed
US-7754759-B2 Arylsulfonyl chromans as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 — — US disclosed
US-7754759-B2 Arylsulfonyl chromans as 5-HT6 inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 — — US disclosed
EP-2027104-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 — — EP disclosed
WO-2007051735-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 — — WO disclosed
WO-2007051735-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 — — WO disclosed
US-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 — — US disclosed
US-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-05-03 — — 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 (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-20070099908-A1 Arylsulfonyl chromans as 5-HT6 inhibitors HTR6, HTR1F, HTR1A HTR2C 16/4885HTR2A 13/4885HTR6 1/4885

“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.