SCHEMBL2983992

SCHEMBL2983992

O=C(O)C1(c2cccs2)CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
TP53 P04637 3/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 3/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL2795442 0.88 ALDH1A1 (0.51) ALDH1A1TP53HTTLMNAGAA
SCHEMBL2991408 0.85 ALDH1A1 (0.62) ALDH1A1TP53HTTLMNAGAA
SCHEMBL2997199 0.84 ALDH1A1 (0.69) ALDH1A1TP53HTTLMNAGAA
SCHEMBL2987151 0.84 ALDH1A1 (0.49) ALDH1A1TP53HTTLMNAGAA
SCHEMBL2978592 0.84 AKR1C1 (0.53) ALDH1A1TP53HTTLMNAGAA
SCHEMBL3218594 0.83 AKR1C1 (0.52) ALDH1A1TP53HTTLMNAGAA
SCHEMBL17761271 0.83 AKR1C1 (0.52) ALDH1A1TP53HTTLMNAGAA
SCHEMBL3924857 0.83 ALDH1A1 (0.49) ALDH1A1TP53HTTLMNAGAA
SCHEMBL11094192 0.80 ALDH1A1 (0.46) ALDH1A1TP53HTTLMNAGAA
Hydrochloric Acid SCHEMBL8353127 0.79 ALDH1A1 (0.45) ALDH1A1TP53HTTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1790641-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-30 EP 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 ALDH1A1 288/4885TP53 4289/4885HTT 2559/4885

“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.