Sugi Predict

Sugi Predict / Compounds / SCHEMBL4514033

SCHEMBL4514033

SCHEMBL4514033

COc1ccc(S(=O)(=O)Nc2ccc(F)nc2)c2c1C[C@@H](NC(=O)C(F)(F)F)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ QRFPR Q96P65 1/20 0.39
▸ MTNR1A P48039 7/20 0.38
▸ MTNR1B P49286 7/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALPL P05186 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL4518286 0.86 ALPL (0.51) ALDH1A1LMNAALPL
SCHEMBL4517130 0.86 HTR6 (0.49) HSD11B1HSD17B2HTR6QRFPRMTNR1A
SCHEMBL4510840 0.86 HSD11B1 (0.48) HSD11B1HSD17B2HTR6QRFPRMTNR1A
SCHEMBL4521478 0.84 ALPL (0.55) LMNAALPLSLC22A12
SCHEMBL4964720 0.84 ALPL (0.55) LMNAALPLSLC22A12
SCHEMBL4519515 0.84 MTNR1A (0.42) HSD11B1HSD17B2HTR6QRFPRMTNR1A
SCHEMBL4961497 0.84 THRB (0.50) HSD11B1HSD17B2HTR6QRFPRALDH1A1
SCHEMBL4509184 0.84 THRB (0.50) HSD11B1HSD17B2HTR6QRFPRALDH1A1
SCHEMBL4519102 0.83 HTR6 (0.49) HSD11B1HSD17B2HTR6QRFPRMTNR1A
SCHEMBL4503366 0.83 ALDH1A1 (0.50) HTR6QRFPRMTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 — — EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 — — 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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A HSD11B1 2184/4885HSD17B2 2494/4885HTR6 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.