SCHEMBL2978592

SCHEMBL2978592

O=C(O)C1(c2cccs2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.53
CHRM3 P20309 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC6A2 P23975 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PRCP P42785 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TP53 P04637 2/20 0.44
HTT P42858 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
HSD11B1 P28845 1/20 0.42
SLC6A4 P31645 1/20 0.41
RAB9A P51151 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
SCHEMBL17761271 0.98 AKR1C1 (0.52) AKR1C1CHRM3ALDH1A1SLC6A2MEN1
SCHEMBL3218594 0.98 AKR1C1 (0.52) AKR1C1CHRM3ALDH1A1SLC6A2MEN1
SCHEMBL2987151 0.96 ALDH1A1 (0.49) AKR1C1CHRM3ALDH1A1SLC6A2MEN1
SCHEMBL2795442 0.92 ALDH1A1 (0.51) AKR1C1ALDH1A1MEN1KMT2ATP53
SCHEMBL11094192 0.84 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ATP53HTT
SCHEMBL2983992 0.84 ALDH1A1 (0.68) ALDH1A1KMT2ATP53HTTLMNA
Hydrochloric Acid SCHEMBL8353127 0.83 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ATP53HTT
SCHEMBL2989344 0.83 ALDH1A1 (0.51) CHRM3ALDH1A1SLC6A2KMT2ATP53
SCHEMBL10406248 0.82 ALDH1A1 (0.42) AKR1C1CHRM3ALDH1A1MEN1KMT2A
Ethylene SCHEMBL11097350 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101014578-B Triazole derivative or salt thereof ASTELLAS PHARMA INC 2011-01-19 CN disclosed
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 US disclosed
CN-101014578-A Triazole derivative or salt thereof ASTELLAS PHARMA INC (JP) 2007-08-08 CN disclosed
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed
CN-1226886-A Arylcycloalkane carboxylic acid esters, their use, pharmaceutical compositions and process for their preparation PHARMACIA & UPJOHN AB (SE) 1999-08-25 CN disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 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 (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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 AKR1C1 427/4885CHRM3 1229/4885ALDH1A1 1071/4885
US-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 AKR1C1 83/4885CHRM3 4756/4885ALDH1A1 288/4885

“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.