SCHEMBL2977241

SCHEMBL2977241

O=C(O)C1CCCCN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
HTT P42858 1/20 0.61
HCRTR1 O43613 1/20 0.60
HCRTR2 O43614 1/20 0.60
AKR1C3 P42330 4/20 0.59
AKR1C1 Q04828 1/20 0.58
CCR4 P51679 6/20 0.58
KDM4E B2RXH2 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MCOLN3 Q8TDD5 2/20 0.56
TSHR P16473 1/20 0.56
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL2977236 1.00 ALDH1A1 (0.61) ALDH1A1HTTHCRTR1HCRTR2AKR1C3
SCHEMBL2100430 0.96 HCRTR1 (0.65) ALDH1A1HTTHCRTR1HCRTR2AKR1C3
SCHEMBL30919357 0.96 HCRTR1 (0.65) ALDH1A1HTTHCRTR1HCRTR2AKR1C3
SCHEMBL2100435 0.96 HCRTR1 (0.65) ALDH1A1HTTHCRTR1HCRTR2AKR1C3
Hydrochloric Acid SCHEMBL10430459 0.95 HCRTR1 (0.64) ALDH1A1HTTHCRTR1HCRTR2AKR1C3
SCHEMBL1771231 0.86 HCRTR1 (0.66) HCRTR1HCRTR2AKR1C3CCR4MCOLN3
SCHEMBL1771060 0.86 HCRTR1 (0.66) HCRTR1HCRTR2AKR1C3CCR4MCOLN3
SCHEMBL1770402 0.85 MMP1 (0.66) HCRTR1HCRTR2CCR4MCOLN3TSHR
SCHEMBL1770564 0.85 MMP1 (0.66) HCRTR1HCRTR2CCR4MCOLN3TSHR
SCHEMBL2977278 0.84 ALDH1A1 (0.72) ALDH1A1HTTHSD17B10LMNA

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-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US claimed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US claimed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 WO claimed
US-7777042-B2 N-sulfonylpipecolic acid derivative FKBP binding composition and pharmaceutical use thereof AVENTIS PHARMACEUTICALS INC. (US) 2010-08-17 US disclosed
US-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1778637-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2007-05-02 EP disclosed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 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-20080139556-A1 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF FKBP1A, FKBP1B, FKBP3 ALDH1A1 3038/4885HTT 535/4885HCRTR1 1329/4885

“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.